data_2dkt_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 2dkt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.507 ' CD2' HD12 ' A' ' 41' ' ' LEU . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 40' ' ' ARG . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 21' ' ' HIS . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 57' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 56' ' ' VAL . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.466 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' A' ' 22' ' ' TYR . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 109' ' ' ILE . 3.7 pt20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.464 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.464 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.1 t60 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' CD2' HD13 ' A' ' 41' ' ' LEU . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 57' ' ' LYS . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 56' ' ' VAL . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.4 pt20 -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.466 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.546 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.442 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 114' ' ' ASP . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.546 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.442 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 41' ' ' LEU . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' N ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 21' ' ' HIS . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 57' ' ' LYS . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 6.7 pt20 -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 110' ' ' GLY . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.448 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.582 ' CD2' HD13 ' A' ' 41' ' ' LEU . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 HD13 ' CD2' ' A' ' 21' ' ' HIS . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 21.3 m-80 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 57' ' ' LYS . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 56' ' ' VAL . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.441 ' ND2' HG23 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.3 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 111' ' ' PRO . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 ' C ' ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 110' ' ' GLY . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.4 t60 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 115' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' CA ' HD21 ' A' ' 36' ' ' LEU . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' CA ' ' A' ' 29' ' ' LYS . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.487 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' LYS . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.41 ' ND2' HG22 ' A' ' 79' ' ' THR . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.8 pt20 -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' ND2' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.441 ' CG ' HD12 ' A' ' 109' ' ' ILE . 11.1 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.532 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.441 HD12 ' CG ' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CD1' HD13 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 5.8 pt20 -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.407 HD12 ' NE2' ' A' ' 100' ' ' HIS . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 0.8 OUTLIER -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.407 ' NE2' HD12 ' A' ' 88' ' ' ILE . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.404 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.453 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 114' ' ' ASP . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CD2' HD13 ' A' ' 41' ' ' LEU . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 21' ' ' HIS . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' ND2' HG23 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.467 HG23 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.422 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 7.5 t-20 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.42 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 114' ' ' ASP . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.518 ' CG ' HD11 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 21' ' ' HIS . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' CG2' ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 34' ' ' ASP . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 9.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.488 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 110' ' ' GLY . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 109' ' ' ILE . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 24.4 t60 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 114' ' ' ASP . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 21' ' ' HIS . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 8.3 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.536 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.6 p80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.3 pt20 -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.558 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.425 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 99' ' ' TYR . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 31.2 t60 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.404 ' HG1' ' N ' ' A' ' 127' ' ' THR . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.404 ' N ' ' HG1' ' A' ' 126' ' ' THR . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 36' ' ' LEU . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.438 ' C ' HD11 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.424 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.312 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.557 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 110' ' ' GLY . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 109' ' ' ILE . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD12 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 ' N ' ' A' ' 57' ' ' LYS . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 56' ' ' VAL . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE2' ' CD1' ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.433 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' CD1' ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.1 pt20 -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.509 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 12.3 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.532 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 9.9 t60 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 10.0 t-20 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 133' ' ' HIS . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.461 ' CG ' HD13 ' A' ' 125' ' ' LEU . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.451 ' CD2' HD12 ' A' ' 41' ' ' LEU . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' HD13 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 40' ' ' ARG . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CA ' ' A' ' 29' ' ' LYS . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD12 ' CD2' ' A' ' 21' ' ' HIS . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.403 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' ND2' HG23 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.455 HG23 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.729 0.3 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 110' ' ' GLY . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 135' ' ' CYS . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 115' ' ' PHE . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 120' ' ' LYS . 4.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 21' ' ' HIS . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD23 ' CZ ' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' ND2' HG22 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.467 HG22 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.416 ' OE1' ' CB ' ' A' ' 93' ' ' ASP . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 110' ' ' GLY . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.44 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.509 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ARG . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CD2' HD11 ' A' ' 41' ' ' LEU . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 21' ' ' HIS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 57' ' ' LYS . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 56' ' ' VAL . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.0 pt20 -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.419 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.1 t60 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.471 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CD2' HD13 ' A' ' 41' ' ' LEU . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.498 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 21' ' ' HIS . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.498 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.429 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.746 0.308 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 110' ' ' GLY . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.411 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 40' ' ' ARG . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 57' ' ' LYS . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' N ' HG21 ' A' ' 56' ' ' VAL . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 29.0 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' OD2' ' NE2' ' A' ' 98' ' ' GLN . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.486 ' NE2' ' OD2' ' A' ' 93' ' ' ASP . 11.7 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.407 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 110' ' ' GLY . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.451 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 25.6 t60 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.422 ' CG ' HD12 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' C ' HD13 ' A' ' 62' ' ' ILE . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.427 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD12 ' CG ' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.455 ' CG ' HD12 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD11 ' A' ' 41' ' ' LEU . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 21' ' ' HIS . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.502 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.2 pt20 -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD3' ' OE1' ' A' ' 83' ' ' GLU . 8.2 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.414 ' N ' ' HG1' ' A' ' 126' ' ' THR . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.511 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -157.3 130.54 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -98.9 125.21 44.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.74 -165.6 33.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -139.98 145.73 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -80.18 140.99 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -162.7 9.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.76 61.62 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.31 171.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -144.45 168.6 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -131.88 174.43 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -118.68 165.76 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.09 164.6 29.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.33 134.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.62 -77.03 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.75 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 16' ' ' PRO . 1.3 mpt_? 62.59 25.85 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.18 111.0 2.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.507 ' CD2' HD12 ' A' ' 41' ' ' LEU . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 40' ' ' ARG . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 21' ' ' HIS . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 57' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 56' ' ' VAL . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' A' ' 22' ' ' TYR . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -58.51 178.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.09 93.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt -121.13 47.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 109' ' ' ILE . 3.7 pt20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.464 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.564 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.464 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.1 t60 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.24 -54.85 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.9 tt -97.99 146.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.32 148.21 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.1 p -174.16 141.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 132.35 116.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.9 t -66.49 124.05 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.71 173.65 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -157.71 177.4 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -127.59 145.65 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 130.15 9.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -134.22 121.68 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -96.91 160.08 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.91 133.95 1.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.0 85.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -96.12 141.71 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 145.18 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.95 178.96 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 99.69 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.42 128.0 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -119.12 129.29 54.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.85 -68.86 1.41 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.73 -171.86 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER 58.2 33.97 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.41 117.97 1.67 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' CD2' HD13 ' A' ' 41' ' ' LEU . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 57' ' ' LYS . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 56' ' ' VAL . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.4 pt20 -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.466 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -75.25 179.58 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.57 78.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -120.52 35.7 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.546 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.442 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 114' ' ' ASP . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.546 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.442 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m -85.15 -59.73 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.6 tt -89.03 148.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.33 121.24 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 m -122.06 -46.97 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.71 76.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -153.79 126.83 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.4 m -96.35 174.8 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 p -115.63 155.36 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -126.62 141.88 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 100.45 2.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -123.75 126.07 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -147.71 153.69 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.02 -122.84 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.53 116.8 2.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -86.87 16.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -149.37 144.95 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -95.15 177.8 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CG ' ' A' ' 14' ' ' GLN . 14.2 tp -167.39 110.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.48 33.72 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' CG ' ' CD1' ' A' ' 12' ' ' LEU . 8.6 pt20 -119.73 107.9 13.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.62 -74.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.77 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 1.7 mpt_? -83.71 23.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.67 120.89 4.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 41' ' ' LEU . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' N ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 21' ' ' HIS . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 57' ' ' LYS . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 6.7 pt20 -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? -92.11 178.46 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.72 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? -123.22 37.09 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 110' ' ' GLY . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.448 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -69.95 -64.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.9 tp -64.39 143.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 136' ' ' ILE . 41.7 mt-10 -120.08 148.72 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.2 m -114.02 170.61 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.78 162.4 6.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -15.23 36.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 m 54.87 42.33 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 m -153.78 145.32 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -136.81 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -155.38 145.68 21.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.48 171.76 14.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -110.59 117.4 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -103.78 165.99 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 132.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . 115.1 -110.48 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.73 149.17 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.46 158.45 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -92.2 141.27 28.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.79 113.87 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.04 152.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -79.75 145.72 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.63 59.46 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.39 37.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -92.33 41.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.17 122.26 4.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.582 ' CD2' HD13 ' A' ' 41' ' ' LEU . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 HD13 ' CD2' ' A' ' 21' ' ' HIS . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 21.3 m-80 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 57' ' ' LYS . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 56' ' ' VAL . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.441 ' ND2' HG23 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.3 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 169.83 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -134.51 39.49 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 111' ' ' PRO . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.476 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m -82.8 -70.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' A' ' 136' ' ' ILE . 0.4 OUTLIER -55.47 179.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -123.49 157.41 33.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.6 t -129.15 -50.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.81 169.63 7.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.4 m -45.53 -58.61 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -159.91 112.49 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.5 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -91.34 156.66 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -143.16 156.34 44.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.26 179.19 23.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.7 154.93 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -47.55 122.5 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 139.97 4.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.51 -144.06 13.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.7 120.58 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 143.18 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -152.2 158.45 42.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.07 99.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.18 120.92 41.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -51.51 130.75 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.34 -74.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.77 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' C ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 29.1 47.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.66 118.61 4.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 ' C ' ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 17' ' ' ARG . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm -51.65 174.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.44 91.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -132.35 42.63 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 110' ' ' GLY . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.4 t60 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 115' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ILE . 36.3 m -50.37 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.42 ' CG2' ' H ' ' A' ' 137' ' ' GLU . 2.9 mm -46.99 175.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.42 ' H ' ' CG2' ' A' ' 136' ' ' ILE . 19.7 mt-10 -88.39 -58.05 2.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.23 140.07 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 54.23 -149.99 16.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -171.44 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.9 t -49.47 107.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -158.8 128.06 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m 60.32 42.11 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -117.34 168.24 10.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 50.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -157.06 135.8 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -157.81 148.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.74 -101.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.49 -166.14 13.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.07 127.62 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.084 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -110.62 136.98 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -117.58 -178.45 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.73 125.61 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.94 105.84 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -131.53 124.27 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.55 63.82 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 18' ' ' GLY . 53.9 Cg_endo -69.79 -29.63 23.41 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' H ' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -79.31 37.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 16' ' ' PRO . . . 102.67 130.35 6.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' CA ' HD21 ' A' ' 36' ' ' LEU . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 ' CA ' ' A' ' 29' ' ' LYS . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.487 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' LYS . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.41 ' ND2' HG22 ' A' ' 79' ' ' THR . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.8 pt20 -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' ND2' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -68.23 168.58 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.52 88.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp -126.68 37.77 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.441 ' CG ' HD12 ' A' ' 109' ' ' ILE . 11.1 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.532 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.441 HD12 ' CG ' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.9 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 6.1 mt -135.09 155.76 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 20.2 mm-40 -137.79 131.07 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.5 p -122.58 -54.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 134.54 77.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 0.39 5.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.0 m -104.19 -47.79 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 63.7 m -108.82 128.83 55.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.473 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -53.41 176.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -108.06 -52.51 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.05 47.65 4.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -121.1 155.35 34.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -132.99 167.18 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 144.4 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.28 133.66 2.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.89 152.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -73.85 -49.79 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -170.26 136.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.94 131.84 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.89 -179.95 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -151.03 161.9 41.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -166.4 49.92 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.79 -162.42 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.477 ' HD3' ' C ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER 63.55 28.11 15.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.24 123.37 1.05 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CD1' HD13 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 5.8 pt20 -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.407 HD12 ' NE2' ' A' ' 100' ' ' HIS . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm -48.52 169.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 6.7 p-10 -54.81 96.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt -134.52 48.62 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 0.8 OUTLIER -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.407 ' NE2' HD12 ' A' ' 88' ' ' ILE . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.404 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.453 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 114' ' ' ASP . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.96 -43.36 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 19.6 tt -82.93 149.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.4 95.91 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -98.87 116.44 31.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.4 148.29 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -77.49 132.96 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.493 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -109.64 165.34 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.87 158.99 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 167.37 39.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -129.31 131.14 46.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -157.96 168.33 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 91.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.59 -94.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -173.0 144.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -97.05 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -45.2 159.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -94.97 119.76 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.69 104.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -118.39 116.58 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.74 61.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -16.45 37.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.626 2.217 . . . . 0.0 112.34 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.23 35.64 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.47 106.4 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CD2' HD13 ' A' ' 41' ' ' LEU . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 21' ' ' HIS . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' ND2' HG23 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.467 HG23 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? -67.1 174.47 3.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 95' ' ' ASP . 0.9 OUTLIER -61.29 80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt -118.38 40.27 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.422 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 7.5 t-20 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.42 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 114' ' ' ASP . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.518 ' CG ' HD11 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.11 -42.04 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.3 tt -121.52 150.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -90.31 157.01 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.7 m -134.45 -60.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.65 98.95 1.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.46 20.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.2 t -174.58 116.46 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -161.62 135.43 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.17 163.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -168.37 174.11 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 161.87 25.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -120.64 132.88 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -84.3 -52.95 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.29 -164.42 19.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.77 -127.52 4.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -154.31 107.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -134.12 116.34 15.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -134.73 45.23 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -174.6 166.62 3.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.64 126.93 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -73.92 137.56 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.36 63.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.3 Cg_endo -69.77 -58.11 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.6 mpp_? 29.67 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.8 111.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 21' ' ' HIS . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' CG2' ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 34' ' ' ASP . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 9.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.488 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -60.17 -175.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.14 90.78 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 36.77 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 110' ' ' GLY . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 109' ' ' ILE . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 24.4 t60 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 114' ' ' ASP . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.7 -55.46 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 14.1 mm -94.78 158.18 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 36.1 mt-10 -126.54 174.77 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.9 t -78.9 137.04 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 133.21 -154.57 21.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 74.8 m -67.83 -40.77 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 141' ' ' SER . 82.0 p 38.01 43.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -165.36 168.22 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -118.43 106.65 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 126.83 8.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -120.5 158.38 27.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -142.18 154.59 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.28 176.23 54.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.77 51.67 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.85 149.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -103.98 159.89 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -127.54 40.77 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -148.53 121.99 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.06 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -139.74 161.24 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.79 111.72 3.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.19 59.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.39 54.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 126.87 4.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 21' ' ' HIS . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -50.05 -179.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 1.8 t70 -67.07 76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt -115.03 40.38 2.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 8.3 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.536 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.2 m -75.29 -69.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.6 tp -73.89 144.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 136' ' ' ILE . 4.8 mm-40 -128.4 105.07 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.6 m -52.87 -58.74 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.1 -173.94 2.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.9 p -86.29 154.67 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -153.49 120.78 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -112.99 176.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -126.52 150.82 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 131.73 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -135.95 144.05 45.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -172.14 157.55 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.56 -143.28 16.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.25 -177.5 18.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -82.08 127.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 158.74 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -112.15 -61.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -92.91 121.11 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.79 167.81 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 52.44 40.74 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.13 59.35 0.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.33 37.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.89 43.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 114.51 2.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.6 p80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.3 pt20 -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? -50.56 -177.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -45.79 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt 40.76 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.558 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.425 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 99' ' ' TYR . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 31.2 t60 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.404 ' HG1' ' N ' ' A' ' 127' ' ' THR . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.404 ' N ' ' HG1' ' A' ' 126' ' ' THR . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.95 -63.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.1 tt -103.95 146.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.36 122.76 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 m -107.72 171.77 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.85 94.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.27 9.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 39.8 m 39.57 43.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -64.94 107.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.23 42.08 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -95.6 138.07 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 139.7 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 m -152.7 175.64 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -133.38 148.25 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 -168.37 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.3 126.7 2.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.85 152.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -144.06 142.26 30.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -176.37 156.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.71 174.58 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.75 162.22 17.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -140.71 156.56 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -95.4 105.22 3.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.85 168.78 20.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -130.18 41.68 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.15 124.97 5.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 36' ' ' LEU . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' C ' HD11 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.424 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 174.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.417 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 44.2 t0 -64.99 95.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -122.34 31.08 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.557 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 110' ' ' GLY . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 109' ' ' ILE . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m -97.13 -70.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.415 ' CG2' ' H ' ' A' ' 137' ' ' GLU . 0.5 OUTLIER -53.44 -178.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' H ' ' CG2' ' A' ' 136' ' ' ILE . 13.8 pt-20 -115.43 137.57 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -144.22 170.9 15.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 97.52 150.04 26.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.59 31.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 m -105.6 141.7 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 t -61.64 162.68 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -160.53 135.33 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -155.01 156.4 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.49 117.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -109.75 157.3 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.31 125.87 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.42 134.46 1.83 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 141.79 4.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -81.38 166.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -123.12 -52.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -145.45 142.24 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.5 163.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.62 132.77 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.75 35.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.29 158.39 24.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 53.4 Cg_endo -69.77 153.21 69.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -134.17 45.02 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.17 121.33 4.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD12 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG22 ' N ' ' A' ' 57' ' ' LYS . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 56' ' ' VAL . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE2' ' CD1' ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.433 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' CD1' ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.1 pt20 -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.509 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -84.45 -177.12 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 20.0 t0 -69.79 92.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -134.99 31.36 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 12.3 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.532 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.428 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 9.9 t60 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 10.0 t-20 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 133' ' ' HIS . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.461 ' CG ' HD13 ' A' ' 125' ' ' LEU . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -106.81 -47.8 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.12 152.99 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -77.87 140.75 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.4 t -65.32 -58.24 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.63 -151.43 8.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -109.15 135.94 49.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -89.57 154.9 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.512 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.16 156.73 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -119.96 175.58 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.77 161.77 18.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -167.12 168.76 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -111.19 152.09 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 160.72 32.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.26 96.2 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.06 153.39 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -133.3 171.66 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -164.84 170.34 15.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -132.56 120.23 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.6 158.21 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -148.75 152.54 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -92.71 107.07 3.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 54.0 Cg_endo -69.75 149.21 66.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -129.91 32.69 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.78 120.76 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.451 ' CD2' HD12 ' A' ' 41' ' ' LEU . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' HD13 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 40' ' ' ARG . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CA ' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CA ' ' A' ' 29' ' ' LYS . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD12 ' CD2' ' A' ' 21' ' ' HIS . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 ' CG2' HD11 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' ND2' HG23 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.455 HG23 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -66.68 175.76 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -54.37 92.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -134.38 31.04 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 110' ' ' GLY . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 135' ' ' CYS . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 115' ' ' PHE . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 120' ' ' LYS . 4.6 m -76.49 -53.81 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.7 tp -59.64 143.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 136' ' ' ILE . 15.9 pt-20 -96.5 143.17 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.4 m -126.54 41.9 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.72 172.39 38.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.0 p -108.74 42.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.11 122.24 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -52.79 124.98 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -139.58 166.88 23.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.51 167.09 36.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -151.97 134.47 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 162.7 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 81.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -98.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -171.48 146.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.01 117.06 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -73.74 171.42 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 117.34 23.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.32 164.56 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -111.99 152.82 27.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' C ' ' HD3' ' A' ' 17' ' ' ARG . . . 154.85 63.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.5 Cg_endo -69.72 -53.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.4 mpp_? 29.06 40.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.9 122.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 21' ' ' HIS . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD23 ' CZ ' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 HG21 ' CG ' ' A' ' 16' ' ' PRO . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' ND2' HG22 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.467 HG22 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 174.61 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.64 96.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt -133.77 34.94 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.416 ' OE1' ' CB ' ' A' ' 93' ' ' ASP . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 110' ' ' GLY . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.44 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.509 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ARG . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.96 95.15 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 137' ' ' GLU . 1.1 tp -161.27 138.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 136' ' ' ILE . 10.3 pt-20 -109.67 159.0 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.0 t -49.7 -52.93 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.04 130.79 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.79 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t 69.89 41.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.8 m -74.33 150.45 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.512 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -157.46 113.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -85.59 137.07 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.25 18.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -80.18 173.84 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -143.29 166.42 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.27 -113.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.51 -102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -175.05 142.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 111.176 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 149.43 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -113.28 -65.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tp -169.1 152.17 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.07 165.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -117.25 18.01 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.31 148.71 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . 53.9 Cg_endo -69.75 -54.44 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.389 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 16' ' ' PRO . 2.9 mpt_? 32.59 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 77.16 125.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CD2' HD11 ' A' ' 41' ' ' LEU . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 21' ' ' HIS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 57' ' ' LYS . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 56' ' ' VAL . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.49 HG22 ' CG ' ' A' ' 16' ' ' PRO . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.0 pt20 -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt -60.19 -179.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.85 93.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -130.3 23.91 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.419 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.419 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.1 t60 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.471 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' GLY . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.52 -69.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.3 tp -66.49 140.72 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 136' ' ' ILE . 44.7 mt-10 -125.09 144.99 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.5 p -79.15 -49.6 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 91.47 94.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.55 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.5 t -157.77 169.83 23.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -131.64 114.02 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -134.95 107.65 7.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -113.53 91.3 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 164.43 38.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -62.33 102.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.92 120.69 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.01 157.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.23 -121.62 2.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -36.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -144.19 155.04 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -153.65 153.33 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -42.84 159.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.42 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -115.43 132.86 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 -77.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' C ' ' HD3' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.74 -167.69 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.13 117.94 1.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.555 ' CD2' HD13 ' A' ' 41' ' ' LEU . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 21' ' ' HIS . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.498 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.47 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -56.33 163.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.481 ' N ' ' HD3' ' A' ' 94' ' ' LYS . 4.8 p-10 -43.68 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt -134.66 23.95 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 110' ' ' GLY . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.411 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -98.75 100.86 12.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.51 148.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.62 166.69 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.2 p -127.69 164.55 21.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.44 -152.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.8 2.64 3.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 140' ' ' PRO . 17.8 t -35.25 115.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.3 t -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.478 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -98.19 170.7 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -138.84 163.45 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -161.72 22.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -75.16 114.4 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -174.97 121.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.46 -144.76 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.19 -116.83 4.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 10' ' ' ARG . 8.9 p -172.82 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' HG21 ' A' ' 9' ' ' VAL . 14.6 mtp180 -150.23 109.71 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.57 175.89 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.33 111.13 21.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.99 153.04 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -85.19 148.33 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.49 110.02 3.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 54.0 Cg_endo -69.74 161.35 46.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.34 36.11 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 125.74 5.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 40' ' ' ARG . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 57' ' ' LYS . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' N ' HG21 ' A' ' 56' ' ' VAL . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 29.0 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' OD2' ' NE2' ' A' ' 98' ' ' GLN . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 178.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -64.39 93.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -134.99 39.0 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.486 ' NE2' ' OD2' ' A' ' 93' ' ' ASP . 11.7 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.407 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 110' ' ' GLY . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.451 ' N ' HG21 ' A' ' 109' ' ' ILE . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 25.6 t60 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.422 ' CG ' HD12 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m -107.21 -52.56 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 137' ' ' GLU . 4.9 tp -82.4 142.59 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 136' ' ' ILE . 7.0 mm-40 -150.67 120.54 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.5 t -115.31 133.02 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.85 170.12 23.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.274 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.0 t -110.54 137.23 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.0 t -155.87 155.81 33.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -133.5 171.29 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -142.06 113.07 7.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 116.14 2.14 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -96.68 82.79 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -101.0 139.73 36.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 57.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.77 91.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 139.68 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -107.85 152.44 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -171.64 169.35 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -55.14 171.07 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.52 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.07 149.21 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.43 6.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.76 -60.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 26.62 43.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 76.53 125.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.484 HG22 ' CG ' ' A' ' 16' ' ' PRO . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.427 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -54.13 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.07 86.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -127.92 38.27 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD12 ' CG ' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.455 ' CG ' HD12 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.11 -60.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 137' ' ' GLU . 6.7 tp -62.84 145.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.432 ' N ' HG13 ' A' ' 136' ' ' ILE . 32.1 mt-10 -119.76 96.49 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -80.29 47.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.52 -160.08 25.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 m -95.75 -56.51 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p -114.83 48.09 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -42.37 -43.54 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -108.79 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.38 -122.96 2.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -80.86 170.58 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -109.55 -57.93 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.06 172.01 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . -132.15 -105.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.33 105.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 166.66 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -123.4 156.33 35.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -66.36 158.41 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -152.37 111.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.99 -77.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.24 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 61.17 29.08 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.33 107.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD11 ' A' ' 41' ' ' LEU . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 21' ' ' HIS . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.502 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' A' ' 27' ' ' LEU . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.2 pt20 -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD3' ' OE1' ' A' ' 83' ' ' GLU . 8.2 mmtp -57.26 -179.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.82 78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -119.66 31.89 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.511 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.414 ' N ' ' HG1' ' A' ' 126' ' ' THR . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.511 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m -67.02 -47.22 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.7 tt -82.84 143.6 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -107.57 160.83 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.8 t -111.1 166.47 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.42 108.23 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.614 2.21 . . . . 0.0 112.372 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.8 p -111.1 175.95 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 t -79.37 121.76 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' O ' HG21 ' A' ' 56' ' ' VAL . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 29' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB2' HE22 ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' OD2' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.633 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 109' ' ' ILE . 0.6 OUTLIER -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.569 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.648 HD13 ' CB ' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.569 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.4 t-80 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 115' ' ' PHE . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.806 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.806 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.528 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.411 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.407 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.528 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.441 HD13 ' ND1' ' A' ' 133' ' ' HIS . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.401 HD23 ' NZ ' ' A' ' 132' ' ' LYS . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' NZ ' HD23 ' A' ' 129' ' ' LEU . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.441 ' ND1' HD13 ' A' ' 125' ' ' LEU . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' HB2' HE22 ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.48 HE22 ' HB2' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 83' ' ' GLU . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.439 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 21.3 m-80 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG12 ' OD1' ' A' ' 52' ' ' ASP . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 6.0 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.468 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.474 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 110' ' ' GLY . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 HD13 ' A' ' 28' ' ' LEU . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 58' ' ' GLU . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE1' HD11 ' A' ' 91' ' ' LEU . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.779 HH12 HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD23 HH12 ' A' ' 24' ' ' ARG . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.551 HG21 ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 26' ' ' CYS . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' OD1' ' HB1' ' A' ' 25' ' ' ALA . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CG ' ' HB2' ' A' ' 72' ' ' GLN . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 109' ' ' ILE . 25.5 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 106' ' ' ILE . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.482 ' CD1' ' NE2' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 123' ' ' LEU . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD13 ' A' ' 41' ' ' LEU . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.919 HH12 HD23 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HH12 ' A' ' 24' ' ' ARG . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.442 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.442 HE22 ' HB2' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD2' ' HE2' ' A' ' 96' ' ' LYS . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 109' ' ' ILE . 2.3 tm0? -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.463 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' HD12 ' A' ' 106' ' ' ILE . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.462 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.472 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.795 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 HG22 ' A' ' 62' ' ' ILE . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.469 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.409 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.2 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.587 HD11 ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.468 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.418 HD13 ' ND1' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 115' ' ' PHE . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.418 ' ND1' HD13 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.79 ' CD2' HD11 ' A' ' 91' ' ' LEU . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 HD23 ' A' ' 28' ' ' LEU . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.545 HD13 HG22 ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.589 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 22' ' ' TYR . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 10.1 mtpt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.521 ' CD ' HD13 ' A' ' 109' ' ' ILE . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.526 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.521 HD13 ' CD ' ' A' ' 98' ' ' GLN . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 29.0 t-80 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.881 HH12 HD23 ' A' ' 28' ' ' LEU . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.881 HD23 HH12 ' A' ' 24' ' ' ARG . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.56 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 28' ' ' LEU . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 26.5 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 135' ' ' CYS . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 120' ' ' LYS . 18.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.691 ' CD1' HD11 ' A' ' 91' ' ' LEU . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.75 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 28' ' ' LEU . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 108' ' ' ARG . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.564 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.437 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HG3' HD12 ' A' ' 106' ' ' ILE . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.564 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 24.7 t-80 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.597 ' HB3' HD12 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HH12 ' A' ' 24' ' ' ARG . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 28' ' ' LEU . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.419 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.312 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 109' ' ' ILE . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' CB ' ' A' ' 98' ' ' GLN . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 115' ' ' PHE . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.474 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.85 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.85 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' N ' ' HD1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG11 HD13 ' A' ' 28' ' ' LEU . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' OE2' HD12 ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.629 HD21 ' OD1' ' A' ' 93' ' ' ASP . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' HD21 ' A' ' 91' ' ' LEU . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.634 ' HB2' HD13 ' A' ' 109' ' ' ILE . 44.1 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.486 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 7.0 t-80 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.525 HH12 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 36' ' ' LEU . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 28' ' ' LEU . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 28' ' ' LEU . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.504 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.44 ' ND2' HG21 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.44 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.729 0.3 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.65 HD11 HH11 ' A' ' 108' ' ' ARG . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.65 HH11 HD11 ' A' ' 106' ' ' ILE . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' ARG . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 91' ' ' LEU . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.613 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.471 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.439 ' CB ' HD13 ' A' ' 109' ' ' ILE . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 98' ' ' GLN . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 115' ' ' PHE . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.548 HH12 HD23 ' A' ' 28' ' ' LEU . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' CYS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD13 ' A' ' 27' ' ' LEU . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 109' ' ' ILE . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.433 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 98' ' ' GLN . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.45 ' C ' HG23 ' A' ' 127' ' ' THR . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' HG23 ' A' ' 127' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.478 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 115' ' ' PHE . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 132' ' ' LYS . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.493 ' HB3' HD22 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.544 ' SG ' HG21 ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.459 ' C ' HG22 ' A' ' 73' ' ' THR . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.609 HD21 ' CG ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.609 ' CG ' HD21 ' A' ' 91' ' ' LEU . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.746 0.308 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 98' ' ' GLN . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.765 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' HD21 ' A' ' 28' ' ' LEU . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 58' ' ' GLU . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 3.2 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.531 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.578 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.531 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 24.1 t-80 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 123' ' ' LEU . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.55 HD13 ' ND1' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.55 ' ND1' HD13 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.434 ' ND2' HG21 ' A' ' 79' ' ' THR . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 73' ' ' THR . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.434 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HD21 ' A' ' 91' ' ' LEU . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.1 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 109' ' ' ILE . 8.9 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.551 HD13 ' HB2' ' A' ' 98' ' ' GLN . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' ND1' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.468 ' ND1' HD13 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.726 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' O ' HG21 ' A' ' 56' ' ' VAL . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' HD21 ' A' ' 28' ' ' LEU . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 29' ' ' LYS . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.579 HD23 ' OE2' ' A' ' 83' ' ' GLU . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' HIS . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 23' ' ' ASP . 8.2 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.411 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.532 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 36.3 m120 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.406 ' SG ' ' HD3' ' A' ' 108' ' ' ARG . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -157.3 130.54 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -98.9 125.21 44.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.74 -165.6 33.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -139.98 145.73 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -80.18 140.99 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -162.7 9.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.76 61.62 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.31 171.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -144.45 168.6 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -131.88 174.43 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -118.68 165.76 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.09 164.6 29.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -112.33 134.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.62 -77.03 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.75 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.741 ' HG3' HD13 ' A' ' 62' ' ' ILE . 1.3 mpt_? 62.59 25.85 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.18 111.0 2.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' O ' HG21 ' A' ' 56' ' ' VAL . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 29' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB2' HE22 ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' OD2' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.633 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -58.51 178.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.09 93.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt -121.13 47.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 109' ' ' ILE . 0.6 OUTLIER -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.464 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.648 HD13 ' CB ' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.464 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.1 t60 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 115' ' ' PHE . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.24 -54.85 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.9 tt -97.99 146.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.32 148.21 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.1 p -174.16 141.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 132.35 116.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.9 t -66.49 124.05 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.71 173.65 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -157.71 177.4 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -127.59 145.65 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 130.15 9.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -134.22 121.68 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -96.91 160.08 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.91 133.95 1.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.0 85.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -96.12 141.71 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 145.18 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -140.95 178.96 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 99.69 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.42 128.0 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -119.12 129.29 54.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.85 -68.86 1.41 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.73 -171.86 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.877 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.6 OUTLIER 58.2 33.97 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.41 117.97 1.67 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.806 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.806 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.877 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.528 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.411 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.407 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.528 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -75.25 179.58 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.57 78.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -120.52 35.7 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.441 HD13 ' ND1' ' A' ' 133' ' ' HIS . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.401 HD23 ' NZ ' ' A' ' 132' ' ' LYS . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' NZ ' HD23 ' A' ' 129' ' ' LEU . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.441 ' ND1' HD13 ' A' ' 125' ' ' LEU . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m -85.15 -59.73 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.6 tt -89.03 148.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.33 121.24 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 m -122.06 -46.97 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.71 76.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -153.79 126.83 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.4 m -96.35 174.8 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 p -115.63 155.36 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -126.62 141.88 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 100.45 2.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -123.75 126.07 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -147.71 153.69 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.02 -122.84 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.53 116.8 2.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -86.87 16.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -149.37 144.95 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -95.15 177.8 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD11 ' CD ' ' A' ' 14' ' ' GLN . 14.2 tp -167.39 110.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.48 33.72 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.542 ' CD ' HD11 ' A' ' 12' ' ' LEU . 8.6 pt20 -119.73 107.9 13.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.62 -74.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.77 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 1.7 mpt_? -83.71 23.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.67 120.89 4.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' HB2' HE22 ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.48 HE22 ' HB2' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 83' ' ' GLU . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? -92.11 178.46 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.72 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? -123.22 37.09 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.439 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -69.95 -64.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.9 tp -64.39 143.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 136' ' ' ILE . 41.7 mt-10 -120.08 148.72 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.2 m -114.02 170.61 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.78 162.4 6.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -15.23 36.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 m 54.87 42.33 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 m -153.78 145.32 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -136.81 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -155.38 145.68 21.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.48 171.76 14.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -110.59 117.4 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -103.78 165.99 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 132.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . 115.1 -110.48 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.73 149.17 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.46 158.45 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -92.2 141.27 28.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 13' ' ' ALA . 2.9 tt -52.79 113.87 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . . . -46.04 152.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -79.75 145.72 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.63 59.46 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.39 37.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.812 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -92.33 41.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.17 122.26 4.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 12.4 m120 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG12 ' OD1' ' A' ' 52' ' ' ASP . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.812 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 6.0 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.468 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 169.83 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -134.51 39.49 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.474 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 110' ' ' GLY . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m -82.8 -70.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -55.47 179.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.721 ' H ' HG22 ' A' ' 136' ' ' ILE . 23.3 mm-40 -123.49 157.41 33.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.6 t -129.15 -50.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.81 169.63 7.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.4 m -45.53 -58.61 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -159.91 112.49 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.5 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -91.34 156.66 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -143.16 156.34 44.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.26 179.19 23.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.7 154.93 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -47.55 122.5 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 139.97 4.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.51 -144.06 13.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.7 120.58 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 143.18 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -152.2 158.45 42.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 12' ' ' LEU . 10.5 tt -65.07 99.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.18 120.92 41.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -51.51 130.75 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.34 -74.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.77 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER 29.1 47.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.66 118.61 4.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 HD13 ' A' ' 28' ' ' LEU . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 58' ' ' GLU . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' A' ' 17' ' ' ARG . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm -51.65 174.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.44 91.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -132.35 42.63 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.4 t60 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ILE . 36.3 m -50.37 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.738 HG22 ' H ' ' A' ' 137' ' ' GLU . 2.9 mm -46.99 175.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 136' ' ' ILE . 19.7 mt-10 -88.39 -58.05 2.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.23 140.07 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 54.23 -149.99 16.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -171.44 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.9 t -49.47 107.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -158.8 128.06 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m 60.32 42.11 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -117.34 168.24 10.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 50.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -157.06 135.8 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -157.81 148.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.74 -101.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.49 -166.14 13.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.4 m -100.07 127.62 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.084 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -110.62 136.98 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -117.58 -178.45 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.73 125.61 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.94 105.84 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -131.53 124.27 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.55 63.82 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.63 23.41 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -79.31 37.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.67 130.35 6.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE1' HD11 ' A' ' 91' ' ' LEU . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.779 HH12 HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD23 HH12 ' A' ' 24' ' ' ARG . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.551 HG21 ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 26' ' ' CYS . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' OD1' ' HB1' ' A' ' 25' ' ' ALA . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CG ' ' HB2' ' A' ' 72' ' ' GLN . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -68.23 168.58 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.52 88.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp -126.68 37.77 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 109' ' ' ILE . 25.5 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.421 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 106' ' ' ILE . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.482 ' CD1' ' NE2' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 123' ' ' LEU . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.9 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 6.1 mt -135.09 155.76 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 20.2 mm-40 -137.79 131.07 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.5 p -122.58 -54.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 134.54 77.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 0.39 5.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.0 m -104.19 -47.79 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 63.7 m -108.82 128.83 55.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.473 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -53.41 176.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -108.06 -52.51 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.05 47.65 4.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -121.1 155.35 34.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -132.99 167.18 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 144.4 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.28 133.66 2.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.89 152.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -73.85 -49.79 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -170.26 136.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.94 131.84 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.89 -179.95 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -151.03 161.9 41.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -166.4 49.92 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.79 -162.42 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER 63.55 28.11 15.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.24 123.37 1.05 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD13 ' A' ' 41' ' ' LEU . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.919 HH12 HD23 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HH12 ' A' ' 24' ' ' ARG . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 HE22 ' HB2' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD2' ' HE2' ' A' ' 96' ' ' LYS . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm -48.52 169.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 6.7 p-10 -54.81 96.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt -134.52 48.62 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 109' ' ' ILE . 2.3 tm0? -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' HD12 ' A' ' 106' ' ' ILE . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.462 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.472 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.96 -43.36 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 19.6 tt -82.93 149.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.4 95.91 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -98.87 116.44 31.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.4 148.29 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -77.49 132.96 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.493 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -109.64 165.34 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.87 158.99 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 167.37 39.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -129.31 131.14 46.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -157.96 168.33 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 91.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.59 -94.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -173.0 144.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -97.05 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -45.2 159.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -94.97 119.76 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.69 104.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -118.39 116.58 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.74 61.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' HG21 ' A' ' 62' ' ' ILE . 53.4 Cg_endo -69.81 -16.45 37.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.626 2.217 . . . . 0.0 112.34 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.23 35.64 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.47 106.4 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.795 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 HG22 ' A' ' 62' ' ' ILE . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 17' ' ' ARG . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HB2' HE22 ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.409 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.2 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? -67.1 174.47 3.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 95' ' ' ASP . 0.9 OUTLIER -61.29 80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt -118.38 40.27 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.587 HD11 ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.468 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 0.7 OUTLIER 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.418 HD13 ' ND1' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 115' ' ' PHE . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.418 ' ND1' HD13 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.11 -42.04 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.3 tt -121.52 150.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -90.31 157.01 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.7 m -134.45 -60.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.65 98.95 1.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.46 20.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.2 t -174.58 116.46 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -161.62 135.43 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.17 163.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -168.37 174.11 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 161.87 25.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -120.64 132.88 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -84.3 -52.95 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.29 -164.42 19.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.77 -127.52 4.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -154.31 107.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -134.12 116.34 15.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -134.73 45.23 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -174.6 166.62 3.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.64 126.93 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -73.92 137.56 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.36 63.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.3 Cg_endo -69.77 -58.11 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.6 mpp_? 29.67 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.8 111.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.79 ' CD2' HD11 ' A' ' 91' ' ' LEU . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 HD23 ' A' ' 28' ' ' LEU . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.545 HD13 HG22 ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.419 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.589 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 22' ' ' TYR . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 10.1 mtpt -60.17 -175.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.14 90.78 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 36.77 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.521 ' CD ' HD13 ' A' ' 109' ' ' ILE . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.522 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.521 HD13 ' CD ' ' A' ' 98' ' ' GLN . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 24.4 t60 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.7 -55.46 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 14.1 mm -94.78 158.18 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 36.1 mt-10 -126.54 174.77 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.9 t -78.9 137.04 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 133.21 -154.57 21.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 74.8 m -67.83 -40.77 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 141' ' ' SER . 82.0 p 38.01 43.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -165.36 168.22 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -118.43 106.65 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 126.83 8.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -120.5 158.38 27.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -142.18 154.59 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.28 176.23 54.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.77 51.67 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.85 149.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -103.98 159.89 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -127.54 40.77 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -148.53 121.99 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.06 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -139.74 161.24 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -103.79 111.72 3.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.78 146.19 59.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.39 54.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 126.87 4.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.881 HH12 HD23 ' A' ' 28' ' ' LEU . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.881 HD23 HH12 ' A' ' 24' ' ' ARG . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.56 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 28' ' ' LEU . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -50.05 -179.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 1.8 t70 -67.07 76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt -115.03 40.38 2.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 26.5 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 135' ' ' CYS . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 120' ' ' LYS . 18.2 m -75.29 -69.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.6 tp -73.89 144.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 136' ' ' ILE . 4.8 mm-40 -128.4 105.07 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.6 m -52.87 -58.74 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.1 -173.94 2.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.9 p -86.29 154.67 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -153.49 120.78 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -112.99 176.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -126.52 150.82 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 131.73 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -135.95 144.05 45.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -172.14 157.55 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.56 -143.28 16.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.25 -177.5 18.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -82.08 127.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 158.74 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -112.15 -61.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 12' ' ' LEU . 7.7 tt -92.91 121.11 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.79 167.81 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 52.44 40.74 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.13 59.35 0.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.33 37.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.697 ' HG3' HD13 ' A' ' 62' ' ' ILE . 1.8 mpt_? -79.89 43.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 114.51 2.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.691 ' CD1' HD11 ' A' ' 91' ' ' LEU . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.75 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 28' ' ' LEU . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? -50.56 -177.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -45.79 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt 40.76 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 108' ' ' ARG . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.591 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.437 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HG3' HD12 ' A' ' 106' ' ' ILE . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 31.2 t60 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.95 -63.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.1 tt -103.95 146.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.36 122.76 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 m -107.72 171.77 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.85 94.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.27 9.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 39.8 m 39.57 43.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -64.94 107.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.23 42.08 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -95.6 138.07 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 139.7 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 m -152.7 175.64 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -133.38 148.25 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 -168.37 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.3 126.7 2.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.85 152.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -144.06 142.26 30.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -176.37 156.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.71 174.58 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.75 162.22 17.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -140.71 156.56 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -95.4 105.22 3.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.1 Cg_endo -69.85 168.78 20.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -130.18 41.68 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.15 124.97 5.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.597 ' HB3' HD12 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.619 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD11 ' HG2' ' A' ' 16' ' ' PRO . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HH12 ' A' ' 24' ' ' ARG . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 28' ' ' LEU . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.419 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 174.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 44.2 t0 -64.99 95.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -122.34 31.08 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 109' ' ' ILE . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' CB ' ' A' ' 98' ' ' GLN . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 115' ' ' PHE . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.474 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m -97.13 -70.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.5 OUTLIER -53.44 -178.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.733 ' H ' HG22 ' A' ' 136' ' ' ILE . 13.8 pt-20 -115.43 137.57 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -144.22 170.9 15.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 97.52 150.04 26.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.59 31.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 m -105.6 141.7 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 t -61.64 162.68 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -160.53 135.33 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -155.01 156.4 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.49 117.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -109.75 157.3 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.31 125.87 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.42 134.46 1.83 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 141.79 4.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -81.38 166.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -123.12 -52.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -145.45 142.24 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.5 163.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.62 132.77 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.75 35.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.29 158.39 24.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.4 Cg_endo -69.77 153.21 69.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -134.17 45.02 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.17 121.33 4.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.85 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.85 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' N ' ' HD1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG11 HD13 ' A' ' 28' ' ' LEU . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' OE2' HD12 ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.629 HD21 ' OD1' ' A' ' 93' ' ' ASP . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' HD21 ' A' ' 91' ' ' LEU . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -84.45 -177.12 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 20.0 t0 -69.79 92.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -134.99 31.36 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.634 ' HB2' HD13 ' A' ' 109' ' ' ILE . 44.1 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 9.9 t60 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -106.81 -47.8 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.12 152.99 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -77.87 140.75 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.4 t -65.32 -58.24 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.63 -151.43 8.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -109.15 135.94 49.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -89.57 154.9 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.512 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.16 156.73 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -119.96 175.58 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.77 161.77 18.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -167.12 168.76 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -111.19 152.09 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 160.72 32.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.26 96.2 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.06 153.39 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -133.3 171.66 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -164.84 170.34 15.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -132.56 120.23 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.6 158.21 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -148.75 152.54 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -92.71 107.07 3.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.588 ' HG2' HD11 ' A' ' 27' ' ' LEU . 54.0 Cg_endo -69.75 149.21 66.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -129.91 32.69 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.78 120.76 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.525 HH12 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 16' ' ' PRO . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 36' ' ' LEU . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 28' ' ' LEU . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 28' ' ' LEU . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.44 ' ND2' HG21 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.44 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -66.68 175.76 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -54.37 92.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -134.38 31.04 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.65 HD11 HH11 ' A' ' 108' ' ' ARG . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.65 HH11 HD11 ' A' ' 106' ' ' ILE . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' ARG . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.6 m -76.49 -53.81 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.7 tp -59.64 143.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 136' ' ' ILE . 15.9 pt-20 -96.5 143.17 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.4 m -126.54 41.9 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.72 172.39 38.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.0 p -108.74 42.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.11 122.24 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -52.79 124.98 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -139.58 166.88 23.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.51 167.09 36.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -151.97 134.47 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 162.7 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 81.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -98.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -171.48 146.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.01 117.06 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -73.74 171.42 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 117.34 23.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.32 164.56 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -111.99 152.82 27.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' C ' ' HD3' ' A' ' 17' ' ' ARG . . . 154.85 63.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.5 Cg_endo -69.72 -53.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.4 mpp_? 29.06 40.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.9 122.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 91' ' ' LEU . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.613 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.471 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -68.75 174.61 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.64 96.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt -133.77 34.94 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.439 ' CB ' HD13 ' A' ' 109' ' ' ILE . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 98' ' ' GLN . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 115' ' ' PHE . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.574 ' HG3' HG22 ' A' ' 136' ' ' ILE . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.96 95.15 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.574 HG22 ' HG3' ' A' ' 134' ' ' LYS . 1.1 tp -161.27 138.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.498 ' N ' HG13 ' A' ' 136' ' ' ILE . 10.3 pt-20 -109.67 159.0 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.0 t -49.7 -52.93 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.04 130.79 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.79 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t 69.89 41.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.8 m -74.33 150.45 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.512 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -157.46 113.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -85.59 137.07 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.25 18.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -80.18 173.84 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -143.29 166.42 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.27 -113.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.51 -102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -175.05 142.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 111.176 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 149.43 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -113.28 -65.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tp -169.1 152.17 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.07 165.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -117.25 18.01 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.31 148.71 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' CB ' HD11 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.75 -54.44 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.389 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 16' ' ' PRO . 2.9 mpt_? 32.59 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 77.16 125.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.548 HH12 HD23 ' A' ' 28' ' ' LEU . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' CYS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD13 ' A' ' 27' ' ' LEU . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt -60.19 -179.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.85 93.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -130.3 23.91 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 109' ' ' ILE . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.433 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 98' ' ' GLN . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.45 ' C ' HG23 ' A' ' 127' ' ' THR . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' HG23 ' A' ' 127' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.1 t60 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.478 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 115' ' ' PHE . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 132' ' ' LYS . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.493 ' HB3' HD22 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.52 -69.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.3 tp -66.49 140.72 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' N ' HG13 ' A' ' 136' ' ' ILE . 44.7 mt-10 -125.09 144.99 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.5 p -79.15 -49.6 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 91.47 94.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.55 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.5 t -157.77 169.83 23.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -131.64 114.02 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -134.95 107.65 7.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -113.53 91.3 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 164.43 38.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -62.33 102.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.92 120.69 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.01 157.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.23 -121.62 2.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -36.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -144.19 155.04 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -153.65 153.33 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -42.84 159.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.42 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -115.43 132.86 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 -77.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' C ' ' HD3' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.74 -167.69 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.13 117.94 1.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.544 ' SG ' HG21 ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' C ' HG22 ' A' ' 73' ' ' THR . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.609 HD21 ' CG ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.609 ' CG ' HD21 ' A' ' 91' ' ' LEU . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -56.33 163.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.49 ' N ' ' HD3' ' A' ' 94' ' ' LYS . 4.8 p-10 -43.68 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt -134.66 23.95 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 98' ' ' GLN . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -98.75 100.86 12.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.51 148.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.62 166.69 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.2 p -127.69 164.55 21.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.44 -152.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.8 2.64 3.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 140' ' ' PRO . 17.8 t -35.25 115.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.3 t -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.478 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -98.19 170.7 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -138.84 163.45 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -161.72 22.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -75.16 114.4 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -174.97 121.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.46 -144.76 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.19 -116.83 4.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 10' ' ' ARG . 8.9 p -172.82 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG22 ' A' ' 9' ' ' VAL . 14.6 mtp180 -150.23 109.71 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.57 175.89 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.33 111.13 21.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.99 153.04 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 6.7 pm0 -85.19 148.33 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.49 110.02 3.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.686 ' O ' HD13 ' A' ' 62' ' ' ILE . 54.0 Cg_endo -69.74 161.35 46.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.34 36.11 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 125.74 5.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.765 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 16' ' ' PRO . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' HD21 ' A' ' 28' ' ' LEU . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 58' ' ' GLU . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 16' ' ' PRO . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 3.2 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 178.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -64.39 93.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -134.99 39.0 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.531 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.531 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.586 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 25.6 t60 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 123' ' ' LEU . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.55 HD13 ' ND1' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.55 ' ND1' HD13 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m -107.21 -52.56 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 137' ' ' GLU . 4.9 tp -82.4 142.59 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 136' ' ' ILE . 7.0 mm-40 -150.67 120.54 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.5 t -115.31 133.02 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.85 170.12 23.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.274 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.0 t -110.54 137.23 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.0 t -155.87 155.81 33.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -133.5 171.29 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -142.06 113.07 7.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 116.14 2.14 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -96.68 82.79 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -101.0 139.73 36.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 57.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.77 91.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 139.68 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -107.85 152.44 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -171.64 169.35 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -55.14 171.07 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.52 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.07 149.21 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 17' ' ' ARG . . . -74.69 -159.43 6.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.76 -60.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 26.62 43.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 76.53 125.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' ND2' HG21 ' A' ' 79' ' ' THR . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 73' ' ' THR . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.434 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HD21 ' A' ' 91' ' ' LEU . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.1 mttm -54.13 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.07 86.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -127.92 38.27 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 109' ' ' ILE . 8.9 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.551 HD13 ' HB2' ' A' ' 98' ' ' GLN . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' ND1' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.468 ' ND1' HD13 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.11 -60.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 137' ' ' GLU . 6.7 tp -62.84 145.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 136' ' ' ILE . 32.1 mt-10 -119.76 96.49 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -80.29 47.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.52 -160.08 25.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 m -95.75 -56.51 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p -114.83 48.09 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -42.37 -43.54 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -108.79 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.38 -122.96 2.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -80.86 170.58 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -109.55 -57.93 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.06 172.01 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . -132.15 -105.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.33 105.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 166.66 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -123.4 156.33 35.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -66.36 158.41 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -152.37 111.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.99 -77.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.24 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.61 ' HG3' HD13 ' A' ' 62' ' ' ILE . 3.4 mpt_? 61.17 29.08 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.33 107.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.726 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' O ' HG21 ' A' ' 56' ' ' VAL . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' HD21 ' A' ' 28' ' ' LEU . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 29' ' ' LYS . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 HD23 ' OE2' ' A' ' 83' ' ' GLU . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' HIS . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 23' ' ' ASP . 8.2 mmtp -57.26 -179.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.82 78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -119.66 31.89 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.411 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.532 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 36.3 m120 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.406 ' SG ' ' HD3' ' A' ' 108' ' ' ARG . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m -67.02 -47.22 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.7 tt -82.84 143.6 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -107.57 160.83 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.8 t -111.1 166.47 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 140' ' ' PRO . . . -92.42 108.23 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 139' ' ' GLY . 53.6 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.614 2.21 . . . . 0.0 112.372 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.8 p -111.1 175.95 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 t -79.37 121.76 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' O ' HG21 ' A' ' 56' ' ' VAL . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 29' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.466 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' OD2' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.633 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 109' ' ' ILE . 3.7 pt20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.464 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.648 HD13 ' CB ' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.464 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.1 t60 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 115' ' ' PHE . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.806 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.806 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.528 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.4 pt20 -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.528 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.441 HD13 ' ND1' ' A' ' 133' ' ' HIS . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.401 HD23 ' NZ ' ' A' ' 132' ' ' LYS . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' NZ ' HD23 ' A' ' 129' ' ' LEU . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.441 ' ND1' HD13 ' A' ' 125' ' ' LEU . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 6.7 pt20 -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 83' ' ' GLU . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.439 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 21.3 m-80 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG12 ' OD1' ' A' ' 52' ' ' ASP . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.3 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.468 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.474 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 110' ' ' GLY . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 HD13 ' A' ' 28' ' ' LEU . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 58' ' ' GLU . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.4 t60 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE1' HD11 ' A' ' 91' ' ' LEU . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.779 HH12 HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD23 HH12 ' A' ' 24' ' ' ARG . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.551 HG21 ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 26' ' ' CYS . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' OD1' ' HB1' ' A' ' 25' ' ' ALA . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.8 pt20 -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CG ' ' HB2' ' A' ' 72' ' ' GLN . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 98' ' ' GLN . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' CG ' HD13 ' A' ' 109' ' ' ILE . 11.1 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 106' ' ' ILE . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.423 HD13 ' CG ' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 123' ' ' LEU . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD13 ' A' ' 41' ' ' LEU . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.919 HH12 HD23 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HH12 ' A' ' 24' ' ' ARG . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 5.8 pt20 -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD2' ' HE2' ' A' ' 96' ' ' LYS . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.463 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' HD12 ' A' ' 106' ' ' ILE . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.462 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.472 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.795 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 HG22 ' A' ' 62' ' ' ILE . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.469 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.587 HD11 ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.468 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 7.5 t-20 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.418 HD13 ' ND1' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 115' ' ' PHE . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.418 ' ND1' HD13 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.79 ' CD2' HD11 ' A' ' 91' ' ' LEU . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 HD23 ' A' ' 28' ' ' LEU . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.545 HD13 HG22 ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 9.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.589 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 22' ' ' TYR . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 10.1 mtpt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.801 0.334 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.521 ' CD ' HD13 ' A' ' 109' ' ' ILE . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.522 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.521 HD13 ' CD ' ' A' ' 98' ' ' GLN . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 24.4 t60 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.881 HH12 HD23 ' A' ' 28' ' ' LEU . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.881 HD23 HH12 ' A' ' 24' ' ' ARG . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.56 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 28' ' ' LEU . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.503 HE21 HD11 ' A' ' 109' ' ' ILE . 8.3 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.503 HD11 HE21 ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 135' ' ' CYS . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 120' ' ' LYS . 18.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.691 ' CD1' HD11 ' A' ' 91' ' ' LEU . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.75 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 28' ' ' LEU . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.6 p80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.3 pt20 -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 108' ' ' ARG . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.591 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.437 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HG3' HD12 ' A' ' 106' ' ' ILE . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 31.2 t60 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.597 ' HB3' HD12 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HH12 ' A' ' 24' ' ' ARG . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 28' ' ' LEU . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.419 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.312 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 109' ' ' ILE . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' CB ' ' A' ' 98' ' ' GLN . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 115' ' ' PHE . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.474 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.85 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.85 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' N ' ' HD1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG11 HD13 ' A' ' 28' ' ' LEU . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' OE2' HD12 ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.1 pt20 -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.629 HD21 ' OD1' ' A' ' 93' ' ' ASP . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' HD21 ' A' ' 91' ' ' LEU . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.634 ' HB2' HD13 ' A' ' 109' ' ' ILE . 12.3 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 9.9 t60 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 10.0 t-20 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.525 HH12 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 36' ' ' LEU . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 28' ' ' LEU . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 28' ' ' LEU . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.504 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.44 ' ND2' HG21 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.44 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.729 0.3 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.65 HD11 HH11 ' A' ' 108' ' ' ARG . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.65 HH11 HD11 ' A' ' 106' ' ' ILE . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' ARG . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 91' ' ' LEU . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.613 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.471 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.439 ' CB ' HD13 ' A' ' 109' ' ' ILE . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 98' ' ' GLN . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 115' ' ' PHE . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.548 HH12 HD23 ' A' ' 28' ' ' LEU . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' CYS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD13 ' A' ' 27' ' ' LEU . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.0 pt20 -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 109' ' ' ILE . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.433 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 98' ' ' GLN . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.45 ' C ' HG23 ' A' ' 127' ' ' THR . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' HG23 ' A' ' 127' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.1 t60 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.478 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 115' ' ' PHE . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 132' ' ' LYS . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.493 ' HB3' HD22 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.544 ' SG ' HG21 ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.522 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.459 ' C ' HG22 ' A' ' 73' ' ' THR . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.609 HD21 ' CG ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.609 ' CG ' HD21 ' A' ' 91' ' ' LEU . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.746 0.308 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 98' ' ' GLN . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.765 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' HD21 ' A' ' 28' ' ' LEU . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 58' ' ' GLU . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 29.0 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' OD2' ' NE2' ' A' ' 98' ' ' GLN . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.486 ' NE2' ' OD2' ' A' ' 93' ' ' ASP . 11.7 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.531 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.531 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.586 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 25.6 t60 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 123' ' ' LEU . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.55 HD13 ' ND1' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.55 ' ND1' HD13 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.434 ' ND2' HG21 ' A' ' 79' ' ' THR . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 73' ' ' THR . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.434 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HD21 ' A' ' 91' ' ' LEU . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.1 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 109' ' ' ILE . 6.3 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.551 HD13 ' HB2' ' A' ' 98' ' ' GLN . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' ND1' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.468 ' ND1' HD13 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.726 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' O ' HG21 ' A' ' 56' ' ' VAL . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' HD21 ' A' ' 28' ' ' LEU . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 29' ' ' LYS . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.2 pt20 -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.579 HD23 ' OE2' ' A' ' 83' ' ' GLU . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' HIS . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 23' ' ' ASP . 8.2 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.411 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.532 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.406 ' SG ' ' HD3' ' A' ' 108' ' ' ARG . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -157.3 130.54 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -98.9 125.21 44.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.74 -165.6 33.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -139.98 145.73 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -80.18 140.99 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -162.7 9.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.76 61.62 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.31 171.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -144.45 168.6 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -131.88 174.43 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -118.68 165.76 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.09 164.6 29.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -112.33 134.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.62 -77.03 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.3 Cg_endo -69.75 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.741 ' HG3' HD13 ' A' ' 62' ' ' ILE . 1.3 mpt_? 62.59 25.85 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.18 111.0 2.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.62 170.8 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -50.22 -27.37 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -71.52 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 49.9 m-85 -142.0 163.86 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.01 92.93 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 38' ' ' THR . 1.3 ptp180 -129.66 167.15 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.3 30.22 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -155.12 128.1 8.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 6.1 mp -83.74 139.83 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.6 pp -91.34 124.75 35.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' O ' HG21 ' A' ' 56' ' ' VAL . 6.2 tptm -58.83 150.97 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -113.27 101.14 53.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 5.99 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.33 -41.14 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -129.04 4.53 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 62.13 35.42 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -112.35 173.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.67 130.62 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.0 m-85 -139.45 143.97 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' TYR . 4.1 m -30.96 -66.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -129.92 177.48 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -64.96 -35.84 82.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 92.8 mt -65.87 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.1 m -61.03 -47.64 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -45.01 -63.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.24 -38.72 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -60.09 -36.52 77.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -108.38 24.51 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.2 162.73 38.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.13 -17.9 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -112.43 160.17 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -95.94 138.37 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -98.42 153.58 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 33.8 m-20 -85.61 156.09 20.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD2' ' NH1' ' A' ' 40' ' ' ARG . 9.0 ptm180 -111.29 -10.04 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.74 -42.36 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -54.12 -63.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 29' ' ' LYS . 4.5 p -54.41 137.02 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -128.24 -38.44 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.79 157.71 35.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.64 154.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.94 145.45 45.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 29.2 t -85.02 150.18 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.4 pp -107.15 -11.27 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.26 -47.97 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -122.94 19.93 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 47.7 mt-10 35.98 43.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -97.83 140.67 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.4 tp -78.01 148.98 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -173.23 178.77 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -107.35 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -54.03 117.98 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -158.94 178.66 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 5.6 tt0 -102.93 -29.21 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.04 156.85 45.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.9 t -72.97 163.45 28.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -109.12 5.37 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -122.99 -36.84 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.31 -11.44 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t 56.42 37.28 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -83.94 120.11 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.32 110.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 47.5 m-85 -77.94 5.61 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 125.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -45.56 -39.42 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -110.9 125.2 53.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 2.8 p90 -124.91 118.26 25.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.0 t -94.71 143.44 26.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.9 p -98.57 -34.26 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.18 -54.32 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.2 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -83.88 -15.57 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.8 m80 57.3 44.64 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' OD2' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -114.93 147.06 40.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.6 m-85 -129.53 109.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.633 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.7 m-20 -132.47 143.86 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -58.51 178.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.09 93.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' ARG . 30.8 ttpt -121.13 47.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER 37.76 54.98 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 109' ' ' ILE . 3.7 pt20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 112' ' ' LYS . 13.5 p90 -132.36 147.33 52.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -93.94 122.35 36.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.2 t -84.55 129.98 34.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.02 -41.47 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.464 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 28.7 m -57.8 -34.85 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.1 m -98.62 -26.2 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.5 20.1 79.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 37.7 pt -129.28 156.74 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 m -77.73 139.65 39.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -135.66 163.25 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.648 HD13 ' CB ' ' A' ' 98' ' ' GLN . 47.2 mm -100.89 128.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.91 -141.99 3.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 126.17 9.3 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.37 0.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 22.0 tptp -38.62 -39.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -47.54 -50.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 18.4 t70 -90.18 35.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.7 m-85 -156.44 169.52 24.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.7 p90 -164.67 174.1 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.464 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.1 t60 -128.15 123.55 34.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.1 t -90.92 144.91 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.1 mt -84.05 -68.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.1 mmmm -36.74 -45.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.4 m -75.53 -36.89 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . 4.2 m120 71.8 46.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.08 167.81 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.1 m -84.9 144.61 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 mt -149.28 141.53 24.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 t -72.13 149.51 44.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 115' ' ' PHE . 36.4 p -50.69 -40.72 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -27.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.1 mt -111.46 50.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -93.31 80.12 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 122.09 -42.88 1.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -54.79 -43.18 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -69.51 146.39 51.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -98.13 153.27 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.24 -54.85 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.9 tt -97.99 146.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.32 148.21 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.1 p -174.16 141.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 132.35 116.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -49.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.9 t -66.49 124.05 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.71 173.65 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -157.71 177.4 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -127.59 145.65 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 130.15 9.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -134.22 121.68 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -96.91 160.08 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.91 133.95 1.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.0 85.91 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -96.12 141.71 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 145.18 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.95 178.96 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 99.69 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.42 128.0 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -119.12 129.29 54.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.85 -68.86 1.41 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.73 -171.86 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.877 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.6 OUTLIER 58.2 33.97 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.41 117.97 1.67 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 p -107.09 175.56 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.18 -16.7 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -83.36 -59.93 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.65 160.3 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.84 98.5 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.806 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.71 151.05 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.19 38.01 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 23.3 p -162.71 127.12 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.6 mp -84.89 136.71 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.806 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -87.97 119.57 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' NZ ' ' C ' ' A' ' 34' ' ' ASP . 5.6 tptp -55.68 147.24 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.73 102.05 43.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 6.81 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.4 p -96.98 -42.86 7.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.25 4.56 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 27.3 t70 63.47 34.35 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -110.74 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -128.74 126.09 39.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 38' ' ' THR . 68.8 m-85 -136.36 141.93 43.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -30.43 -65.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 17.5 p -131.44 173.27 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -62.82 -38.18 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 44.7 mt -62.52 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 m -65.45 -43.33 90.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -49.16 -62.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -34.28 61.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -63.78 -39.85 95.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -103.44 24.57 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -147.48 177.31 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -106.96 -20.38 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -106.08 164.51 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -95.28 138.22 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -101.42 149.3 24.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.2 p30 -79.63 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -111.42 -24.04 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -93.57 -41.55 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 66.4 mttt -57.25 -61.73 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.38 137.34 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 38.2 ttpt -128.97 -32.39 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.06 155.75 39.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.6 m -151.22 159.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 61' ' ' CYS . 29.2 tt0 -124.42 145.82 49.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 17.6 t -83.44 150.19 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.877 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.7 pp -105.83 -7.48 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.528 ' ND2' HG21 ' A' ' 79' ' ' THR . 17.5 m-20 -92.36 -49.16 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 22.4 p -119.68 20.77 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' CYS . 27.2 mm-40 34.06 38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 17.7 tptp -88.62 144.2 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -84.26 147.95 26.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.62 -177.7 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -175.86 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -53.56 117.49 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.4 pt20 -158.86 -176.69 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.15 -31.83 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.3 159.34 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 t -76.69 157.61 31.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -105.27 10.27 33.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.84 -36.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.56 -11.19 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 56.15 40.74 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.528 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -57.9 111.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 44.9 m-85 -78.66 12.05 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.41 122.19 2.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -44.89 -42.77 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -98.16 124.52 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -126.68 121.55 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.0 t -101.32 128.35 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 p -86.44 -32.31 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.45 -58.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.76 -17.43 50.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 64.54 37.24 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -112.45 155.27 24.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.2 m-85 -131.02 119.28 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -127.49 151.94 48.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -75.25 179.58 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.57 78.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -120.52 35.7 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.94 52.5 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -98.15 120.58 38.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 12.0 p90 -103.9 141.1 36.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -98.27 116.06 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.1 131.85 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -82.32 -44.77 15.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 m -56.58 -34.8 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -96.58 -26.52 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.86 26.0 73.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.7 pt -136.38 157.49 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.32 141.62 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 19.3 mmm180 -141.71 142.44 33.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.18 128.62 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.18 -131.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 124.93 8.04 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.319 0.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -35.7 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' PRO . 20.1 mt-10 -46.75 -52.59 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.5 t70 -94.36 38.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.4 m-85 -157.9 166.44 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 3.8 p90 -158.85 174.36 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -130.91 118.32 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.6 t -85.3 138.37 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 122' ' ' ASN . 38.8 mt -74.55 -65.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 135' ' ' CYS . 7.1 tptm -39.92 -51.26 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.6 m -69.81 -25.92 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.3 m-80 59.05 48.75 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -164.02 169.66 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 32.7 m -89.4 140.26 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.441 HD13 ' ND1' ' A' ' 133' ' ' HIS . 57.0 mt -143.43 148.91 36.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.1 t -76.79 142.66 40.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 40.9 p -41.5 -40.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -42.46 -42.8 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.401 HD23 ' NZ ' ' A' ' 132' ' ' LYS . 18.0 mt -95.26 43.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 6.7 tpt180 -59.62 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -119.52 43.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' NZ ' HD23 ' A' ' 129' ' ' LEU . 5.7 ttpm? -120.1 -43.01 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.441 ' ND1' HD13 ' A' ' 125' ' ' LEU . 2.7 p-80 -61.55 165.14 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.49 55.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 120' ' ' LYS . 6.3 m -85.15 -59.73 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.6 tt -89.03 148.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.33 121.24 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 m -122.06 -46.97 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.71 76.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -153.79 126.83 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.4 m -96.35 174.8 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 p -115.63 155.36 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -126.62 141.88 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 100.45 2.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -123.75 126.07 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -147.71 153.69 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.02 -122.84 3.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.53 116.8 2.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -86.87 16.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -149.37 144.95 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -95.15 177.8 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD11 ' CD ' ' A' ' 14' ' ' GLN . 14.2 tp -167.39 110.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.48 33.72 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.542 ' CD ' HD11 ' A' ' 12' ' ' LEU . 8.6 pt20 -119.73 107.9 13.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.62 -74.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.77 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 1.7 mpt_? -83.71 23.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.67 120.89 4.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -97.79 174.37 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -24.28 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -67.18 -59.63 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -150.69 154.66 37.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -94.63 96.0 9.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -136.82 146.22 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.63 36.07 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 22.4 p -155.04 124.3 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.7 mp -81.42 139.07 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.2 pp -90.71 118.68 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 10.2 tptm -54.76 150.9 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -111.87 103.37 55.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.402 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.6 -48.38 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.64 6.92 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' ALA . 31.6 t0 58.9 36.65 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 8.1 mtpm? -114.12 174.77 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 29' ' ' LYS . 10.5 mt -132.15 128.25 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' C ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -134.74 149.31 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' TYR . 6.3 m -35.67 -64.75 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.19 164.9 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.58 -38.25 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 30.8 mt -63.05 -35.05 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 m -66.75 -47.77 71.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.0 t-80 -42.57 -62.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -38.87 68.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -60.2 -38.74 84.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -107.59 27.48 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.1 mm-40 -149.71 151.57 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -79.04 -15.8 57.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -114.69 160.11 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.95 135.59 39.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -98.6 153.36 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -87.4 153.68 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -107.33 -7.68 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -103.74 -43.61 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.08 137.27 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.1 ttmp? -126.13 -36.04 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.9 160.4 28.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -147.37 159.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -123.16 139.67 53.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.7 t -77.72 149.39 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.2 pp -105.9 -6.63 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -90.62 -50.05 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -117.2 17.02 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 37.66 44.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.9 tptm -98.59 145.02 27.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 37.8 tp -81.85 149.68 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -173.68 177.67 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -106.74 -179.01 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -50.66 119.68 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 6.7 pt20 -159.8 -175.01 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.1 tt0 -108.4 -33.0 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 156.79 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.9 t -74.44 155.71 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -104.31 12.44 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.82 -36.32 2.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.63 -10.97 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t 57.72 38.01 27.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 m -87.39 116.18 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 83' ' ' GLU . 15.9 tp -54.07 112.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 52.4 m-85 -79.51 5.81 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.0 124.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.7 mp0 -42.67 -46.22 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.85 126.27 52.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.8 p90 -125.35 116.78 22.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.99 141.38 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 p -94.38 -34.27 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.52 -51.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.5 m -85.01 -16.27 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.9 m80 59.67 32.48 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.4 tt -104.76 154.49 19.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 27.2 m-85 -129.21 120.46 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -128.15 163.85 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.8 ptmm? -92.11 178.46 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.72 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' LYS . 4.3 ttpm? -123.22 37.09 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 45.73 54.67 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -111.55 115.9 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 34.9 p90 -100.96 -175.58 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -131.63 117.46 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.59 123.55 25.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.59 -46.29 54.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.439 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 11.6 m -53.46 -40.77 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.45 -21.77 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.51 70.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 pt -120.74 164.95 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.13 139.34 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 14.9 mmm180 -138.03 155.86 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.22 140.69 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -99.58 -149.48 24.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.2 Cg_endo -69.79 122.86 6.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.331 0.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -38.73 -38.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.26 -53.91 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.521 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.1 t70 -86.57 34.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.4 m-85 -152.81 167.25 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 130' ' ' ARG . 9.3 p90 -161.11 177.26 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 60.9 t60 -126.64 123.56 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.26 102.34 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -55.91 -35.16 66.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -50.77 -49.55 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.77 -7.53 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.9 m120 61.81 30.01 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -138.34 -176.61 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.01 149.16 24.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -148.85 151.32 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' THR . 1.9 t -84.71 139.91 31.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' THR . 51.2 p -36.33 -35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -46.24 -47.98 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -98.35 41.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 28.1 ptt85 -76.88 49.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.59 -38.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.98 -52.54 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -61.14 145.55 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -105.18 119.09 38.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -69.95 -64.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.9 tp -64.39 143.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 136' ' ' ILE . 41.7 mt-10 -120.08 148.72 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.2 m -114.02 170.61 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.78 162.4 6.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -15.23 36.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 m 54.87 42.33 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.2 m -153.78 145.32 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -136.81 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -155.38 145.68 21.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.48 171.76 14.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -110.59 117.4 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -103.78 165.99 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 132.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . 115.1 -110.48 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.73 149.17 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.46 158.45 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -92.2 141.27 28.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD13 HD21 ' A' ' 46' ' ' ASN . 2.9 tt -52.79 113.87 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . . . -46.04 152.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -79.75 145.72 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.63 59.46 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.39 37.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.812 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -92.33 41.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.17 122.26 4.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.0 p -101.55 161.04 13.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -41.85 -30.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.68 -61.23 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.67 154.89 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.07 94.79 7.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -132.04 159.49 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.52 30.63 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 27.3 p -153.29 124.44 7.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.77 134.48 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -85.76 129.29 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.32 151.93 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.83 103.61 54.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 6.51 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -101.66 -43.81 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -123.89 9.65 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.3 t70 54.76 29.98 12.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -107.66 174.87 5.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -132.11 134.16 45.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 46' ' ' ASN . 67.9 m-85 -141.21 145.33 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.6 m -29.28 -64.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 p -131.09 -175.17 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.32 82.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.4 -49.13 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -46.08 -46.43 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 20.3 t-80 -46.18 -64.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -37.55 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -61.98 -38.89 90.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.612 HD21 HD13 ' A' ' 12' ' ' LEU . 21.3 m-80 -106.04 25.58 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -147.98 171.85 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -100.39 -22.8 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -105.68 162.01 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.63 136.67 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -98.55 151.32 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 6.7 p30 -79.11 155.92 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -120.17 -24.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -97.15 -39.15 9.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 15.1 mtmt -58.85 -62.02 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG12 ' OD1' ' A' ' 52' ' ' ASP . 3.2 p -52.85 138.44 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -128.5 -40.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.55 154.08 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.15 159.99 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -123.05 141.84 51.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 36.0 t -81.52 150.81 28.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.812 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.0 pp -106.07 -14.26 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' A' ' 79' ' ' THR . 5.4 m120 -81.68 -53.44 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.6 p -117.52 21.91 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' CYS . 49.3 mt-10 35.33 38.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 19.9 tptm -89.17 145.57 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 39.8 tp -83.4 148.2 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.6 pt20 -174.18 -179.13 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -175.55 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.06 119.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.587 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -160.11 -175.27 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.3 tt0 -107.14 -33.9 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 155.89 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 13.1 t -73.26 153.68 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -102.81 9.61 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 7.4 t0 -123.16 -39.02 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -117.01 -17.71 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 64.83 41.52 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.468 HG21 ' ND2' ' A' ' 63' ' ' ASN . 3.3 m -92.15 116.92 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.104 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.58 111.65 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 39.3 m-85 -78.96 9.43 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.53 120.68 1.93 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -40.36 -43.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.55 129.62 47.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.8 p90 -133.82 113.25 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.9 t -87.42 142.66 27.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -96.46 -34.05 11.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.1 -53.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -82.09 -19.69 39.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 62.86 36.15 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.3 tt -107.99 155.51 20.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.6 m-85 -135.76 117.64 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -131.06 160.88 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 169.83 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -134.51 39.49 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 45.52 53.53 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -115.24 116.53 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 108' ' ' ARG . 34.8 p90 -100.95 -175.1 2.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -131.34 118.36 20.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.9 t -84.09 117.49 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.24 -43.94 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.474 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.8 t -54.76 -37.54 66.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 95.8 m -95.02 -22.45 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.19 27.9 73.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.498 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 26.8 pt -139.91 159.55 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.145 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 141.45 33.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 20.9 mmm180 -135.5 174.92 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 110' ' ' GLY . 33.7 mm -100.53 152.89 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.82 -147.37 11.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.436 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.76 123.51 6.87 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.328 0.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 21.1 tttm -35.64 -38.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -48.29 -52.93 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.542 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 56.5 m-20 -86.18 37.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 50.9 m-85 -154.83 168.57 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 6.5 p90 -160.6 176.13 11.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 17.7 t60 -135.9 123.44 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.77 149.35 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' ASN . 43.7 mt -85.19 -66.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -41.3 -46.31 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.4 m -72.16 -29.89 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.7 m-80 62.23 49.36 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.5 pp -166.03 164.49 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.0 m -83.82 144.88 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.52 146.84 30.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -79.7 141.55 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 130' ' ' ARG . 23.1 p -39.42 -45.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 28.2 t30 -35.18 -41.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.53 46.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 34.6 mtp85 -59.74 -59.24 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.96 32.48 4.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -105.34 -50.72 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -59.49 151.64 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -108.72 126.56 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 2.4 m -82.8 -70.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.4 OUTLIER -55.47 179.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.721 ' H ' HG22 ' A' ' 136' ' ' ILE . 23.3 mm-40 -123.49 157.41 33.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.6 t -129.15 -50.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.81 169.63 7.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.4 m -45.53 -58.61 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -159.91 112.49 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.5 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -91.34 156.66 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -143.16 156.34 44.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.26 179.19 23.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.7 154.93 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -47.55 122.5 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 139.97 4.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.51 -144.06 13.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.7 120.58 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 143.18 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -152.2 158.45 42.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 12' ' ' LEU . 10.5 tt -65.07 99.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.18 120.92 41.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -51.51 130.75 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.34 -74.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.5 Cg_endo -69.77 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.803 ' HB3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER 29.1 47.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.66 118.61 4.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.05 176.06 5.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -57.25 -13.89 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' HD13 ' A' ' 41' ' ' LEU . 28.0 m80 -87.1 -71.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -130.13 168.39 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.2 m-20 -107.0 96.5 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -137.76 145.41 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.93 42.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.0 p -159.48 136.91 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.4 mp -97.21 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.7 pp -86.4 132.01 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -68.65 141.96 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.67 102.69 36.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 3.62 2.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -94.7 -44.9 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.96 3.98 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.7 t70 63.73 28.86 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -104.23 170.85 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.6 mt -129.08 129.73 45.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.7 m-85 -138.74 146.05 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.38 -66.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.21 -173.96 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 ppt_? -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 21' ' ' HIS . 10.2 mt -62.45 -49.75 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.0 m -45.49 -50.22 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.2 t-80 -48.51 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -37.39 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -63.03 -36.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -111.67 29.68 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 18.2 mm-40 -149.79 149.83 31.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.37 -20.32 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -114.44 162.61 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -99.22 140.52 33.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -103.51 152.54 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 m-20 -92.84 156.3 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -101.91 -11.64 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.81 -40.45 8.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -51.19 -50.66 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 HD13 ' A' ' 28' ' ' LEU . 6.8 p -75.35 148.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.3 tppp? -132.63 -39.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.7 mt-10 -71.91 169.22 16.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 58' ' ' GLU . 21.5 m -156.5 155.92 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -118.98 145.32 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 33.9 t -85.45 150.58 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' A' ' 17' ' ' ARG . 2.7 pp -106.53 -12.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -83.29 -49.7 9.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -121.39 22.05 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 44.7 mt-10 35.63 39.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 47.1 tptt -90.56 151.75 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.4 tp -92.81 142.16 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -164.68 174.72 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 168.35 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.23 118.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 8.6 pt20 -160.81 -175.56 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -106.52 -29.4 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -131.25 158.0 41.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.1 t -72.92 161.5 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -109.13 13.19 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.6 -13.34 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t 59.22 38.62 23.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -87.88 116.37 26.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -54.66 110.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 29.6 m-85 -76.43 5.07 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.38 124.42 2.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -45.24 -42.31 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -99.31 121.86 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 1.8 p90 -128.43 117.47 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.76 143.67 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -97.87 -33.17 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.97 -54.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.9 m -83.43 -18.91 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.5 m80 61.76 39.13 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -110.63 152.71 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 18.0 m-85 -133.81 111.38 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -127.93 132.71 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 22.6 pttm -51.65 174.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.44 91.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -132.35 42.63 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 47.71 53.36 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -111.19 114.57 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 2.5 p90 -110.38 149.74 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -105.64 137.5 43.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.26 135.2 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.39 -39.53 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.3 t -60.08 -34.18 73.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.6 m -98.78 -26.59 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.22 22.56 78.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.1 pt -132.74 159.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.04 149.26 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -152.48 148.95 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.1 mm -80.48 136.83 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -93.34 -137.09 8.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.7 128.7 12.95 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.368 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 23.2 tptp -37.69 -38.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.35 -55.46 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 9.7 m-20 -83.79 34.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 42.8 m-85 -154.06 168.44 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -160.77 175.51 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.539 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.4 t60 -130.34 126.03 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.13 128.06 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.88 -61.22 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.3 m -48.18 -37.53 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 73.77 42.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.34 171.31 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 55.6 m -91.96 141.98 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 70.6 mt -144.67 143.19 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.9 t -70.22 145.03 51.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 24.4 p -44.28 -41.58 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -41.59 -39.61 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.31 38.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' THR . 13.3 tpt180 -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.96 -52.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.54 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -43.83 -42.2 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.8 p-80 -66.0 140.03 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -112.23 113.37 25.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ILE . 36.3 m -50.37 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.738 HG22 ' H ' ' A' ' 137' ' ' GLU . 2.9 mm -46.99 175.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 136' ' ' ILE . 19.7 mt-10 -88.39 -58.05 2.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.23 140.07 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 54.23 -149.99 16.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -171.44 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.9 t -49.47 107.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -158.8 128.06 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m 60.32 42.11 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -117.34 168.24 10.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 50.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -157.06 135.8 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -157.81 148.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.74 -101.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.49 -166.14 13.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.4 m -100.07 127.62 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.084 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -110.62 136.98 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -117.58 -178.45 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -84.73 125.61 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.94 105.84 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -131.53 124.27 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.55 63.82 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.63 23.41 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -79.31 37.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.67 130.35 6.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 38' ' ' THR . 3.2 p -112.21 175.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -47.92 -20.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' A' ' 41' ' ' LEU . 60.0 m80 -75.92 -61.18 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE1' HD11 ' A' ' 91' ' ' LEU . 12.9 m-85 -146.48 158.01 43.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.32 99.17 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.779 HH12 HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.56 145.55 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -105.13 34.88 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.3 p -157.93 129.82 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' ' C ' ' A' ' 37' ' ' TYR . 5.1 mp -89.58 139.12 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD23 HH12 ' A' ' 24' ' ' ARG . 3.9 pp -90.35 124.73 35.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -61.07 152.46 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -112.08 105.49 56.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.23 2.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.9 -44.69 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -123.15 3.7 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' ALA . 28.0 t70 60.05 37.47 21.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -114.6 177.53 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 28' ' ' LEU . 9.1 mt -134.49 126.84 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' THR . 43.2 m-85 -134.5 145.94 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.551 HG21 ' SG ' ' A' ' 19' ' ' CYS . 8.7 m -32.34 -66.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -131.2 171.58 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -37.49 76.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 21' ' ' HIS . 13.0 mt -61.58 -47.62 84.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.6 m -52.66 -50.2 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 26.7 t-80 -44.24 -64.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -34.34 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -64.39 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -109.92 28.79 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.21 140.21 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.87 -16.76 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -115.29 165.56 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -104.7 134.47 47.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -94.49 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.9 t0 -84.2 156.86 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -117.19 -15.09 10.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -98.1 -39.29 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -63.52 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.81 142.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 21.5 tptm -132.07 -37.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.58 154.47 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.02 161.37 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -124.16 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 23.8 t -81.81 149.74 28.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 26' ' ' CYS . 2.0 pp -107.52 -9.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' OD1' ' HB1' ' A' ' 25' ' ' ALA . 7.1 m120 -85.17 -46.84 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.75 21.31 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 30.0 mt-10 37.71 38.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -90.87 141.44 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 tp -82.24 149.88 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -174.03 -177.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 -177.29 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.72 114.05 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.8 pt20 -154.13 -178.65 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 4.2 tt0 -103.43 -29.76 10.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.45 158.35 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.36 161.43 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.89 6.68 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.25 -34.97 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.1 p -120.62 -10.05 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t 54.66 44.66 28.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 63' ' ' ASN . 1.9 m -92.45 121.47 33.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.93 114.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.6 m-85 -83.24 11.06 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.78 121.71 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.27 -46.73 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -101.8 133.48 46.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CG ' ' HB2' ' A' ' 72' ' ' GLN . 9.5 p90 -133.26 117.87 17.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.3 t -93.43 140.92 29.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 36.5 t -94.81 -33.49 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.7 mt -72.92 -53.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.15 -19.61 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.1 m80 64.43 31.69 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.2 tt -103.25 154.65 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.6 m-85 -137.31 110.75 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 98' ' ' GLN . 1.2 p-10 -127.54 148.47 50.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -68.23 168.58 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.52 88.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' LYS . 18.5 ttpp -126.68 37.77 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 42.98 54.68 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' CG ' HD13 ' A' ' 109' ' ' ILE . 11.1 tt0 -119.34 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 36.6 p90 -99.61 -173.5 2.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -127.87 117.91 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.7 t -84.1 126.1 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.48 -38.37 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 15.0 m -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.421 ' CB ' HG13 ' A' ' 106' ' ' ILE . 74.2 m -108.45 2.85 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.94 25.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.8 pp -135.02 170.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.73 142.22 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HD2' HD11 ' A' ' 106' ' ' ILE . 1.6 mmp_? -137.87 149.86 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.423 HD13 ' CG ' ' A' ' 98' ' ' GLN . 16.8 mm -83.59 135.27 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.51 -144.04 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 123.47 6.86 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.318 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 27.0 tttm -36.49 -37.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -48.23 -54.75 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.8 m-20 -86.07 33.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 126' ' ' THR . 50.5 m-85 -152.79 169.54 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -159.69 177.64 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 33.7 t60 -128.24 114.76 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 37.2 t -83.54 141.55 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' ASN . 44.6 mt -83.37 -61.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -38.83 -36.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.4 m -87.5 -33.29 19.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 36.5 t30 72.29 39.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 123' ' ' LEU . 3.4 pp -159.79 169.27 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.6 m -79.87 148.89 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 mt -148.27 158.61 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 7.2 t -87.09 141.96 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.406 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 10.4 p -44.15 -41.82 5.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -39.1 -34.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.53 46.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -70.98 107.1 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.27 35.91 21.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -121.03 -38.79 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -60.02 165.39 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -102.0 117.35 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.0 m -86.9 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 6.1 mt -135.09 155.76 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 20.2 mm-40 -137.79 131.07 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.5 p -122.58 -54.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 134.54 77.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 0.39 5.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.0 m -104.19 -47.79 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 63.7 m -108.82 128.83 55.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.473 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -53.41 176.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -108.06 -52.51 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.05 47.65 4.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -121.1 155.35 34.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -132.99 167.18 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 144.4 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.28 133.66 2.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.89 152.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -73.85 -49.79 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -170.26 136.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.94 131.84 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.89 -179.95 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -151.03 161.9 41.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -166.4 49.92 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.79 -162.42 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER 63.55 28.11 15.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.24 123.37 1.05 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 p -106.0 168.83 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -48.01 -25.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' CD2' HD13 ' A' ' 41' ' ' LEU . 46.1 m80 -69.22 -64.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' LEU . 7.3 m-85 -141.64 140.25 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 4.1 m-20 -85.06 91.68 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.919 HH12 HD23 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -131.38 153.16 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.11 38.22 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 26.7 p -158.61 128.28 5.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -85.57 137.65 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HH12 ' A' ' 24' ' ' ARG . 3.1 pp -89.73 119.8 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -56.04 144.68 28.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.64 102.77 36.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 54.1 Cg_endo -69.74 4.96 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -97.48 -44.33 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 p -123.65 1.24 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.6 t70 63.74 36.64 10.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 78.0 mttt -113.91 172.43 6.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.17 122.67 34.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.0 m-85 -131.45 144.86 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.9 m -31.51 -66.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.48 177.37 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -37.29 87.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 21' ' ' HIS . 44.1 mt -64.68 -35.17 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.91 -45.88 84.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 25.4 t-80 -45.33 -63.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.4 -38.81 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -61.7 -36.53 81.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -106.74 25.42 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -149.9 174.47 12.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -102.87 -20.19 14.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -107.54 159.58 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -91.07 139.45 30.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -103.27 151.38 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.6 m-20 -77.49 153.52 33.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -119.42 -17.6 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 89' ' ' CYS . 89.1 m-85 -102.72 -37.28 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -60.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.76 131.09 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -122.61 -33.58 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.96 151.45 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.68 153.71 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -120.15 149.81 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -84.26 150.57 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.4 -8.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 18.5 m-20 -90.84 -46.37 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.1 p -122.96 23.46 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 64' ' ' CYS . 14.5 pt-20 31.28 40.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' CYS . 18.1 tptp -89.37 142.18 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 tp -83.11 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -174.23 -175.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -110.11 -175.14 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 115.99 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' A' ' 68' ' ' GLN . 5.8 pt20 -158.12 179.66 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.98 -31.72 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 158.16 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.3 t -75.26 161.92 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -109.2 6.96 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -124.76 -33.07 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 25.5 p -123.06 -10.39 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.4 t 55.07 42.62 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -90.08 116.8 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.07 111.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.1 m-85 -79.74 11.02 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.57 123.59 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -44.61 -43.43 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -96.79 120.78 37.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -125.26 107.15 10.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.51 148.94 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -103.1 -34.56 8.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.7 mt -72.94 -55.23 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 54' ' ' PHE . 9.6 m -83.81 -15.66 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.9 m80 57.26 41.29 27.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -110.97 154.61 23.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 5.7 m-85 -133.26 115.83 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD2' ' HE2' ' A' ' 96' ' ' LYS . 58.5 t0 -133.26 127.62 34.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 19.6 pttm -48.52 169.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 6.7 p-10 -54.81 96.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' ARG . 31.6 ttpt -134.52 48.62 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' LYS . 11.7 tpp180 34.28 53.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -123.61 124.77 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 34.4 p90 -113.26 -174.64 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -130.51 145.71 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -114.08 125.08 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -69.62 -43.58 72.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.533 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 74.6 m -51.93 -34.92 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.7 m -103.7 3.67 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.39 26.14 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.6 pp -136.02 169.88 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.14 152.98 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' HD12 ' A' ' 106' ' ' ILE . 11.0 mtp-105 -152.03 155.09 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 98' ' ' GLN . 32.6 mm -83.09 142.43 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -96.4 -142.26 12.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.71 125.65 8.71 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.359 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 14.8 tptp -37.36 -38.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -49.72 -51.36 39.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 49.4 m-20 -85.16 33.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 46.2 m-85 -153.54 169.21 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 7.2 p90 -161.52 177.1 10.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 21.3 t60 -132.08 127.92 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.74 144.6 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.3 mt -81.77 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -42.38 -44.59 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.14 -25.32 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' LEU . 68.4 m-20 57.78 53.99 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.27 -179.62 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.56 138.13 37.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -141.38 139.22 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.462 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.8 t -70.97 145.39 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.6 p -44.95 -41.86 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -41.54 -38.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.08 46.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.472 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 24.7 mtp180 -65.1 -61.61 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.68 1.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -122.18 -51.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -58.43 165.07 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.12 151.54 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.96 -43.36 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 19.6 tt -82.93 149.15 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.4 95.91 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -98.87 116.44 31.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.4 148.29 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -77.49 132.96 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.493 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -109.64 165.34 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.87 158.99 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 167.37 39.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -129.31 131.14 46.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -157.96 168.33 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 91.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.59 -94.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -173.0 144.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -97.05 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -45.2 159.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -94.97 119.76 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.69 104.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -118.39 116.58 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.74 61.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' HG21 ' A' ' 62' ' ' ILE . 53.4 Cg_endo -69.81 -16.45 37.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.626 2.217 . . . . 0.0 112.34 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB3' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -102.23 35.64 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.47 106.4 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.29 166.12 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.6 -25.29 2.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -69.88 -65.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.23 163.04 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 92.27 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.795 HH12 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.16 154.2 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.38 38.15 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 20.9 p -157.08 129.65 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 HG22 ' A' ' 62' ' ' ILE . 7.2 mp -84.6 138.37 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.1 pp -90.15 123.21 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.65 143.54 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -104.84 102.68 36.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 53.7 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 p -94.91 -44.32 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 p -127.87 12.67 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 17.1 t70 56.47 25.98 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -101.63 169.28 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.03 127.2 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' THR . 54.5 m-85 -134.97 145.31 48.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' TYR . 10.6 m -32.18 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 p -132.35 -178.16 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -36.25 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.97 -22.1 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 m -78.35 -40.32 36.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.9 t-80 -51.19 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -42.35 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -55.21 -38.76 68.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.52 22.11 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 21.8 mm-40 -142.76 177.96 7.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -107.04 -22.03 12.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -107.36 158.05 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -88.68 132.47 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -93.97 153.9 17.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t0 -84.69 154.96 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -117.7 -15.73 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -99.71 -41.89 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -54.08 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.46 140.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -131.13 -35.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.23 164.06 27.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 m -151.79 153.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -119.39 140.17 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 17.3 t -79.81 150.18 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 17' ' ' ARG . 2.4 pp -103.85 -9.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.5 m-20 -90.03 -54.63 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.5 p -113.49 21.97 14.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 64' ' ' CYS . 9.2 mt-10 30.48 46.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -99.98 142.38 31.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.74 152.46 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.7 pt20 -173.86 -176.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -112.0 174.33 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.63 117.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 pt20 -158.68 -178.02 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.8 -34.82 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 152.08 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 166.07 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -112.24 6.11 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -125.88 -34.5 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.1 p -120.44 -9.37 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t 52.75 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.5 m -94.86 114.86 26.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 tp -52.59 109.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m-85 -77.88 10.17 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.05 125.26 2.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.8 -41.94 11.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -104.46 127.77 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 14.8 p90 -128.33 119.65 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 t -94.86 146.65 24.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.0 p -99.46 -33.73 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.34 -54.38 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 m -85.94 -18.58 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m80 62.15 39.82 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -108.88 155.36 20.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -137.91 113.17 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.74 150.25 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 1.7 ptmm? -67.1 174.47 3.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 95' ' ' ASP . 0.9 OUTLIER -61.29 80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' LYS . 23.2 ttpt -118.38 40.27 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 44.56 54.53 6.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.46 115.19 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 5.4 p90 -110.42 144.18 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -95.44 125.28 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.1 t -88.51 124.31 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.07 -48.07 66.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 6.9 t -51.16 -33.86 28.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -101.55 -0.21 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.45 31.11 1.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.587 HD11 ' HD3' ' A' ' 108' ' ' ARG . 2.8 pp -139.52 171.75 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' C ' ' HG2' ' A' ' 108' ' ' ARG . 73.4 m -85.64 149.84 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 106' ' ' ILE . 5.0 mmm180 -147.58 168.84 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.53 152.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -110.48 -143.86 9.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.468 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.5 Cg_endo -69.81 121.87 5.7 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.337 0.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' PRO . 51.3 tttt -35.24 -39.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.83 -58.21 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.2 t70 -84.93 38.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 61.1 m-85 -157.39 168.22 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 7.7 p90 -161.48 -179.73 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 18.5 t60 -133.38 124.9 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.3 t -94.05 140.51 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 122' ' ' ASN . 72.9 mt -76.63 -68.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.0 mmmm -36.5 -41.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.2 m -78.62 -37.42 42.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' LEU . 7.5 t-20 71.84 39.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.84 172.97 17.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 95.8 m -90.68 140.72 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.418 HD13 ' ND1' ' A' ' 133' ' ' HIS . 19.0 mt -138.77 154.52 48.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 115' ' ' PHE . 9.7 t -82.46 143.87 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 115' ' ' PHE . 16.6 p -49.89 -31.9 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -53.22 -36.39 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.21 41.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -61.44 97.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 131' ' ' GLY . 4.4 tmtt? -37.45 -43.29 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.418 ' ND1' HD13 ' A' ' 125' ' ' LEU . 32.7 p-80 -61.44 165.67 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -107.7 138.55 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.11 -42.04 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.3 tt -121.52 150.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -90.31 157.01 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.7 m -134.45 -60.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.65 98.95 1.11 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.46 20.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.2 t -174.58 116.46 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -161.62 135.43 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.17 163.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -168.37 174.11 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 161.87 25.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -120.64 132.88 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -84.3 -52.95 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.29 -164.42 19.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.77 -127.52 4.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -154.31 107.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -134.12 116.34 15.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -134.73 45.23 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -174.6 166.62 3.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.64 126.93 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -73.92 137.56 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.36 63.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.3 Cg_endo -69.77 -58.11 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.6 mpp_? 29.67 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.8 111.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.29 159.04 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -40.88 -30.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 41.3 m80 -59.72 -53.43 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.79 ' CD2' HD11 ' A' ' 91' ' ' LEU . 6.7 m-85 -153.16 129.92 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 83.8 m-20 -75.97 86.17 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 HD23 ' A' ' 28' ' ' LEU . 7.0 ptm180 -131.69 162.33 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.71 28.81 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 11.3 p -151.8 144.42 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.545 HD13 HG22 ' A' ' 62' ' ' ILE . 6.0 mp -98.08 147.48 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -95.78 128.62 42.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -66.22 142.76 57.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -104.88 105.3 50.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p -96.91 -41.48 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.99 9.92 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.6 t70 54.71 34.02 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -106.56 167.82 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mt -129.05 117.63 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 63.4 m-85 -125.17 145.52 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -31.16 -58.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.73 -174.39 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -69.8 -35.11 74.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 21' ' ' HIS . 88.4 mt -64.34 -61.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' LEU . 60.0 m -36.81 -43.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 30.6 t-80 -49.98 -63.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -36.13 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -62.17 -36.78 82.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -108.43 25.05 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.6 159.14 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.34 -16.73 34.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -110.89 159.28 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.0 135.89 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -97.73 148.43 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.01 149.85 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -103.98 -7.92 20.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.18 -43.0 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.55 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -48.85 141.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -130.33 -32.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -78.84 165.45 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.32 153.39 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -121.35 145.17 48.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 15.5 t -80.7 150.39 29.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -104.41 -9.02 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' HG21 ' A' ' 79' ' ' THR . 38.2 m-20 -88.9 -50.98 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.7 p -116.9 20.79 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' CYS . 54.7 mt-10 32.63 46.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 14.7 tptm -99.46 145.48 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 29.3 tp -80.89 152.38 28.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -175.66 177.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -109.46 178.8 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.76 117.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.606 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 9.5 pt20 -159.77 -177.5 6.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -107.62 -32.22 7.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -126.86 150.51 49.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -67.45 144.47 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -95.67 20.24 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.39 -45.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.34 -17.03 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t 66.78 47.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.589 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.2 m -98.15 113.2 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.05 114.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 48.8 m-85 -81.66 3.58 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.64 118.13 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -41.26 -42.59 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.14 133.03 43.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 24.4 p90 -131.2 111.81 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.5 t -91.56 125.05 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -82.22 -35.1 28.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.58 -53.56 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.3 m -87.17 -15.62 37.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.3 m80 63.77 28.97 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 22' ' ' TYR . 1.1 tt -105.25 151.83 23.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 15.4 m-85 -128.7 112.91 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.96 147.5 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 10.1 mtpt -60.17 -175.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.14 90.78 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 36.77 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 54.97 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.521 ' CD ' HD13 ' A' ' 109' ' ' ILE . 6.4 tt0 -105.91 149.73 26.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 112' ' ' LYS . 7.8 p90 -132.65 153.07 51.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -106.15 128.02 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.94 135.19 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -82.86 -41.85 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.522 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 72.0 m -58.75 -36.36 74.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.95 26.58 74.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.26 156.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 61.7 m -78.88 146.77 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.11 136.58 17.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.521 HD13 ' CD ' ' A' ' 98' ' ' GLN . 19.1 mm -68.24 142.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -97.41 -143.75 15.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.75 128.42 12.53 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 99' ' ' TYR . 17.9 tptp -41.08 -38.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -49.0 -44.05 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.573 ' OD2' ' CE1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -86.93 24.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' ' OD2' ' A' ' 114' ' ' ASP . 68.2 m-85 -149.27 169.79 19.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 12.5 p90 -159.79 178.38 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 24.4 t60 -134.79 117.89 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 41.1 t -86.31 137.34 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' ASN . 30.7 mt -72.47 -69.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.11 -40.66 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' LEU . 25.6 t-20 73.97 41.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.85 177.29 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.99 133.95 40.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 13.2 mt -135.7 145.06 46.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -72.65 144.04 47.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.9 p -48.25 -40.19 23.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -45.89 -28.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.33 43.42 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -81.49 83.17 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.75 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -45.81 -46.51 15.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.7 p-80 -62.39 145.45 53.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -117.91 114.83 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.5 m -56.7 -55.46 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 137' ' ' GLU . 14.1 mm -94.78 158.18 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' N ' ' CG2' ' A' ' 136' ' ' ILE . 36.1 mt-10 -126.54 174.77 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.9 t -78.9 137.04 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 133.21 -154.57 21.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 74.8 m -67.83 -40.77 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 141' ' ' SER . 82.0 p 38.01 43.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -165.36 168.22 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -118.43 106.65 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.08 126.83 8.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -120.5 158.38 27.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -142.18 154.59 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.28 176.23 54.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.77 51.67 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.85 149.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -103.98 159.89 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -127.54 40.77 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -148.53 121.99 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.06 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -139.74 161.24 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -103.79 111.72 3.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.78 146.19 59.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.39 54.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 126.87 4.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.544 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.8 175.34 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -53.77 -20.81 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 41' ' ' LEU . 40.7 m80 -74.64 -63.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -138.13 162.68 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -103.46 94.84 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.881 HH12 HD23 ' A' ' 28' ' ' LEU . 1.7 ptp180 -134.21 161.1 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.68 33.19 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 15.1 p -157.43 128.37 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -84.44 141.74 30.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.881 HD23 HH12 ' A' ' 24' ' ' ARG . 2.6 pp -92.83 120.48 33.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.8 tptt -56.94 153.18 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.56 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . -112.84 103.0 55.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 4.93 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.2 -41.08 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -130.1 8.34 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.3 t70 56.06 39.91 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 72.9 mttt -111.39 170.96 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.09 118.34 21.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -127.95 145.41 50.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.8 m -32.31 -65.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 29.3 p -132.01 177.81 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 1.6 ppt_? -57.98 -37.67 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 23.2 mt -66.17 -54.36 26.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.01 -36.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -62.46 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -35.37 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.7 m -66.32 -34.53 78.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -108.48 25.71 11.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.33 169.38 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.97 -26.2 18.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -104.88 166.75 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -102.67 145.27 29.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -108.61 149.36 29.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.1 t70 -83.74 164.53 19.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 40' ' ' ARG . 3.3 ptp180 -115.05 -15.09 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -96.92 -45.0 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -49.17 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 28' ' ' LEU . 2.7 p -56.5 139.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -130.75 -29.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.7 156.61 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.0 147.02 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.56 143.74 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 35.5 t -81.08 151.31 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.5 pp -105.5 -14.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.07 -54.53 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.6 p -116.04 21.72 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 12.5 mt-10 33.93 40.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -92.38 145.24 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.0 tp -78.83 149.91 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.431 ' OE1' ' CE2' ' A' ' 81' ' ' PHE . 1.3 pt20 -175.46 173.57 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.23 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 119.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.3 pt20 -162.57 -175.26 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -108.37 -31.77 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 153.72 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.0 t -70.23 156.03 39.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -103.76 6.47 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -120.96 -39.43 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.7 p -116.69 -13.3 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 43.73 15.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -91.3 122.24 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.36 105.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -71.73 1.91 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.96 120.1 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -41.78 -42.6 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -104.76 121.01 42.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 3.0 p90 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.9 t -89.26 140.95 28.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -95.61 -31.76 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -54.88 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.1 m -82.58 -23.78 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 m80 68.38 37.98 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.1 tt -109.45 155.13 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 28.3 m-85 -130.48 119.16 22.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.22 132.36 43.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -50.05 -179.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 95' ' ' ASP . 1.8 t70 -67.07 76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' ARG . 19.7 ttmt -115.03 40.38 2.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER 34.78 54.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.503 HE21 HD11 ' A' ' 109' ' ' ILE . 8.3 tt0 -99.4 127.77 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 6.1 p90 -110.07 145.03 37.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -99.0 115.88 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.33 128.51 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.82 -43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 45.8 m -53.86 -41.17 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.42 -26.72 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.58 26.26 70.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 pt -135.27 157.85 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.53 146.16 42.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -144.56 152.49 40.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.503 HD11 HE21 ' A' ' 98' ' ' GLN . 30.0 mm -96.47 122.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -78.6 -136.39 1.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.4 Cg_endo -69.77 126.7 9.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.324 0.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tptm -34.2 -42.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.78 -54.92 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 12.7 t70 -87.33 33.63 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 57.7 m-85 -154.74 169.88 22.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 3.9 p90 -165.24 174.05 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 28.9 t60 -130.68 120.9 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 36.8 t -88.96 143.37 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.1 mt -79.91 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 135' ' ' CYS . 6.1 tptp -39.68 -50.71 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 86.7 m -68.68 -37.46 79.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.07 44.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.47 169.24 22.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.7 m -89.05 139.89 30.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.33 148.4 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 t -77.0 144.68 38.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.6 p -43.0 -43.35 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -42.32 -40.21 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.18 45.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -86.31 43.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 166.85 -61.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' GLY . 68.2 mttt -38.12 -44.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.3 p-80 -58.17 138.37 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -105.54 129.33 53.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 120' ' ' LYS . 18.2 m -75.29 -69.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.6 tp -73.89 144.31 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 136' ' ' ILE . 4.8 mm-40 -128.4 105.07 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.6 m -52.87 -58.74 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.1 -173.94 2.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.538 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.9 p -86.29 154.67 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -153.49 120.78 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -112.99 176.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -126.52 150.82 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 131.73 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -135.95 144.05 45.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -172.14 157.55 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.56 -143.28 16.62 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.25 -177.5 18.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.428 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -82.08 127.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 158.74 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -112.15 -61.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 12' ' ' LEU . 7.7 tt -92.91 121.11 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.79 167.81 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 52.44 40.74 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.13 59.35 0.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.33 37.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.697 ' HG3' HD13 ' A' ' 62' ' ' ILE . 1.8 mpt_? -79.89 43.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 114.51 2.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.24 161.54 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.26 -25.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.91 -61.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.691 ' CD1' HD11 ' A' ' 91' ' ' LEU . 4.3 m-85 -139.78 156.62 46.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' HE3' ' A' ' 94' ' ' LYS . 1.4 m-20 -101.67 93.24 5.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.75 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.54 160.42 38.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.01 33.17 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 30.9 p -154.62 133.93 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -83.93 139.32 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.3 pp -89.74 123.5 33.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.67 146.28 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -111.09 101.05 49.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -95.7 -42.89 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -125.57 4.62 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.6 t70 62.41 27.31 16.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -106.06 172.62 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -129.59 129.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.1 m-85 -137.16 148.43 46.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -33.98 -65.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -132.28 -175.12 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -36.84 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.88 -27.77 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.9 m -72.56 -45.15 60.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -46.27 -62.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -36.7 68.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 m -60.76 -39.35 88.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -104.3 23.68 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.56 173.43 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.99 -16.88 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.96 160.27 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -94.21 145.0 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -110.13 154.34 23.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 6.7 m-20 -91.5 139.33 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 54' ' ' PHE . 5.6 ptp180 -94.53 -7.93 39.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 95.3 m-85 -102.83 -42.45 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -50.3 -64.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 28' ' ' LEU . 2.4 p -47.64 136.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -124.65 -32.79 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -78.59 167.12 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.16 151.35 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -122.03 138.28 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 13.8 t -76.37 150.17 36.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 27' ' ' LEU . 2.2 pp -103.91 -5.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -94.02 -53.45 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.9 p -113.74 19.42 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 64' ' ' CYS . 45.2 mt-10 31.87 51.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -103.91 142.79 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -80.47 146.32 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.6 pt20 -170.51 179.07 3.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.6 p80 -102.78 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -52.87 119.94 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.3 pt20 -158.37 -175.11 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -105.99 -31.69 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.91 156.88 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.65 163.51 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -111.21 8.51 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -126.78 -30.18 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.25 -7.31 6.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t 53.17 44.28 30.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -90.73 123.01 33.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.11 109.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 31.9 m-85 -78.12 10.09 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.24 128.04 2.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.18 -36.16 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.63 127.5 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 25.2 p90 -123.78 106.76 10.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 17.9 t -83.94 124.67 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.5 p -86.76 -33.0 20.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.59 -42.36 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.6 m -101.2 -11.89 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.4 m80 62.77 27.66 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.3 tt -101.91 155.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 17.6 m-85 -134.08 109.94 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -131.04 132.65 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 23' ' ' ASP . 2.8 ptpp? -50.56 -177.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -45.79 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt 40.76 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 3.5 tmm_? 39.77 55.03 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 108' ' ' ARG . 15.9 tt0 -108.43 143.92 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' ' HE2' ' A' ' 112' ' ' LYS . 2.8 p90 -126.16 162.53 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -119.59 135.34 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.3 t -102.22 127.83 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -71.54 -43.39 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.591 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 60.6 m -53.79 -27.39 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.437 ' CB ' HG13 ' A' ' 106' ' ' ILE . 69.2 m -110.32 0.81 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.59 21.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 108' ' ' ARG . 2.7 pp -130.43 165.05 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.9 m -89.57 150.63 22.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HG3' HD12 ' A' ' 106' ' ' ILE . 45.6 mtp85 -151.28 154.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.68 131.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -75.32 -138.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 53.6 Cg_endo -69.73 119.09 3.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.364 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 99' ' ' TYR . 1.8 tppp? -33.42 -40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.88 -54.87 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 15.3 t70 -85.17 37.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 49.5 m-85 -154.84 168.24 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 13.1 p90 -159.48 179.38 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 31.2 t60 -133.01 126.9 32.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.5 t -97.0 136.38 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 122' ' ' ASN . 67.8 mt -72.65 -68.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' LEU . 14.8 tptp -36.85 -51.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.7 m -67.89 -35.27 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.2 t30 71.0 37.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 169.35 24.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 97.0 m -87.02 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 20.3 mt -139.02 143.05 38.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -73.23 147.84 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.8 p -48.96 -38.1 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.62 -29.82 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.9 mt -107.58 46.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -93.8 43.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.7 -42.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -64.24 -40.24 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.2 p-80 -57.87 142.06 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -112.23 131.91 55.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.95 -63.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.1 tt -103.95 146.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.36 122.76 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 m -107.72 171.77 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 152.85 94.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.27 9.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 39.8 m 39.57 43.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -64.94 107.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 66.23 42.08 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -95.6 138.07 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 139.7 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 m -152.7 175.64 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -133.38 148.25 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 -168.37 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.3 126.7 2.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.85 152.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -144.06 142.26 30.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -176.37 156.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.71 174.58 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.75 162.22 17.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -140.71 156.56 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -95.4 105.22 3.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.1 Cg_endo -69.85 168.78 20.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -130.18 41.68 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.15 124.97 5.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 p -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.62 -29.95 3.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.597 ' HB3' HD12 ' A' ' 41' ' ' LEU . 32.2 m80 -62.18 -52.61 63.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -150.26 155.47 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -98.98 93.15 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.619 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.04 148.3 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 37.18 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.5 p -159.14 133.39 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD11 ' HG2' ' A' ' 16' ' ' PRO . 6.7 mp -90.96 140.5 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HH12 ' A' ' 24' ' ' ARG . 4.2 pp -93.51 130.71 39.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.0 tptt -64.81 151.96 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -114.65 101.11 54.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.09 -41.15 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -129.54 6.5 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' ALA . 21.2 t70 60.28 34.26 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -113.16 168.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 28' ' ' LEU . 11.0 mt -126.97 131.87 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' THR . 72.3 m-85 -140.14 146.85 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.1 m -34.4 -61.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -133.98 -176.09 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 12.8 ptt-85 -72.81 -30.75 64.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 21' ' ' HIS . 57.5 mt -68.9 -34.19 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.46 -42.91 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -46.42 -60.88 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -40.53 73.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.3 m -54.44 -38.84 66.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -109.7 23.56 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.14 147.51 30.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.2 -13.83 60.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -117.98 172.43 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -105.99 159.93 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 145.16 47.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -89.62 156.96 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -115.16 8.92 15.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -110.16 -26.99 9.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.37 -59.37 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.3 144.27 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 7.8 ttpm? -133.57 -32.83 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.81 153.08 38.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.35 161.0 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -124.16 145.15 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -83.96 150.67 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.419 ' C ' HD12 ' A' ' 62' ' ' ILE . 2.7 pp -104.63 -8.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 79' ' ' THR . 65.7 m-20 -92.04 -58.29 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.44 15.83 23.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 31.1 mt-10 37.02 39.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -90.72 141.88 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.11 149.03 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.9 pt20 -172.61 -176.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -176.13 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -55.77 116.43 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -157.41 -175.35 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -105.32 -32.79 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.68 160.1 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.19 165.45 25.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -112.53 10.7 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.04 -34.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.0 -11.08 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t 55.51 42.03 30.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.1 m -90.25 116.52 28.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.06 109.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 53.4 m-85 -75.42 6.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.67 124.8 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 13.7 mt-10 -46.32 -44.57 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -94.88 121.76 36.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -124.35 113.96 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.6 t -94.72 137.39 33.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 80.6 p -91.67 -37.35 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.19 -52.51 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -87.18 -7.28 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 87' ' ' SER . 37.8 m80 49.74 36.98 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.8 tt -107.15 155.21 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 5.6 m-85 -135.98 114.25 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 3.2 p30 -129.31 145.71 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.77 174.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 44.2 t0 -64.99 95.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -122.34 31.08 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.78 54.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 109' ' ' ILE . 18.2 pm0 -110.38 161.29 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -130.93 154.25 48.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -103.85 115.0 29.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 53.6 t -73.16 131.33 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.46 -44.51 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 22.3 m -55.5 -38.85 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.8 m -92.64 -21.86 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.16 21.04 73.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.1 pt -130.57 158.31 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.7 m -77.19 146.94 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -143.83 151.39 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' CB ' ' A' ' 98' ' ' GLN . 41.2 mm -90.29 134.2 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.54 -141.44 5.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.7 124.87 7.94 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 5.9 ttpm? -35.85 -41.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -48.26 -51.29 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.571 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 31.2 t70 -89.78 33.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 55.1 m-85 -155.3 167.86 28.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -163.76 177.94 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 16.1 t60 -133.64 117.85 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 40.5 t -81.68 145.23 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 122' ' ' ASN . 31.3 mt -83.71 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 0.7 OUTLIER -43.94 -42.28 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.3 m -74.26 -28.73 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' LEU . 65.5 m-20 62.6 49.89 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -166.55 178.25 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.3 m -96.12 147.91 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 29.5 mt -151.82 145.81 25.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -76.01 147.77 38.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 115' ' ' PHE . 27.6 p -49.05 -41.06 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -44.76 -28.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.6 mt -104.08 43.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 35.4 mtp85 -79.65 89.09 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 133' ' ' HIS . . . 104.64 -54.57 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' GLY . 3.8 mtmp? -37.13 -43.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 131' ' ' GLY . 2.9 p-80 -67.44 156.88 35.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 144.81 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.474 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 8.4 m -97.13 -70.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 137' ' ' GLU . 0.5 OUTLIER -53.44 -178.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.733 ' H ' HG22 ' A' ' 136' ' ' ILE . 13.8 pt-20 -115.43 137.57 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -144.22 170.9 15.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 97.52 150.04 26.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.59 31.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 m -105.6 141.7 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 t -61.64 162.68 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -160.53 135.33 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -155.01 156.4 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.49 117.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -109.75 157.3 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.31 125.87 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.42 134.46 1.83 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 141.79 4.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -81.38 166.68 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -123.12 -52.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -145.45 142.24 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.5 163.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.62 132.77 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -86.75 35.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.29 158.39 24.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HG2' HD11 ' A' ' 27' ' ' LEU . 53.4 Cg_endo -69.77 153.21 69.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -134.17 45.02 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.17 121.33 4.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 p -94.41 175.77 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -50.56 -21.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -72.05 -48.8 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -157.07 156.31 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.88 93.48 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.85 HH12 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.59 150.95 50.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.12 34.83 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.7 p -158.15 126.38 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CG2' ' A' ' 62' ' ' ILE . 7.2 mp -84.87 139.54 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.85 HD23 HH12 ' A' ' 24' ' ' ARG . 3.0 pp -90.29 116.64 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 56' ' ' VAL . 2.9 tptm -55.89 145.75 23.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -104.73 105.51 50.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.681 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.2 p -98.54 -41.69 7.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 p -126.87 6.72 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.3 t70 57.84 28.4 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -104.06 170.77 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.99 129.22 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' C ' ' A' ' 38' ' ' THR . 71.3 m-85 -137.17 141.84 42.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' TYR . 1.6 m -31.86 -56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 31.0 p -136.03 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.61 76.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' CYS . 4.3 mp -66.78 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LEU . 57.3 m -36.3 -34.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.5 t-80 -62.68 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' N ' ' HD1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.64 -28.53 67.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -70.38 -34.56 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -106.22 20.01 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -141.83 166.74 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.13 -26.96 22.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -102.9 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -108.11 142.76 37.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.55 151.57 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.1 m-20 -84.28 163.71 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -27.31 8.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.92 -40.92 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -50.34 -56.51 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG11 HD13 ' A' ' 28' ' ' LEU . 5.2 p -63.16 137.15 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -126.17 -34.36 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' OE2' HD12 ' A' ' 67' ' ' LEU . 14.4 tm-20 -72.52 160.69 31.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -153.45 160.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.81 150.76 47.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 38.4 t -87.6 150.83 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.4 pp -104.81 -14.62 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.89 -56.72 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLU . 28.2 p -113.68 21.59 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 11.8 mt-10 33.7 44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -97.34 136.27 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' A' ' 58' ' ' GLU . 53.1 tp -72.04 150.38 44.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.7 pt20 -175.18 178.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 70' ' ' ALA . 1.5 p80 -109.38 -178.45 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -49.95 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 7.1 pt20 -162.63 -177.57 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 7.9 tt0 -106.5 -29.79 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 156.52 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.1 t -73.46 155.61 39.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -103.59 12.07 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -128.42 -39.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.9 p -116.07 -12.3 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t 57.46 40.9 26.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -88.71 117.1 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.38 107.73 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.0 m-85 -73.93 -0.19 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 123.15 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 95' ' ' ASP . 10.8 mt-10 -43.34 -36.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -114.58 119.89 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 8.3 p90 -120.26 113.81 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 t -84.73 138.34 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -91.83 -35.32 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.0 mt -72.29 -53.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.39 -8.47 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.0 m80 52.84 26.5 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.629 HD21 ' OD1' ' A' ' 93' ' ' ASP . 2.4 tt -97.07 150.59 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 29.3 m-85 -125.19 117.6 24.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' HD21 ' A' ' 91' ' ' LEU . 16.3 m-20 -123.64 160.36 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -84.45 -177.12 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . 20.0 t0 -69.79 92.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -134.99 31.36 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 45.43 49.32 10.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.634 ' HB2' HD13 ' A' ' 109' ' ' ILE . 12.3 tt0 -103.53 135.4 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 22.7 p90 -111.18 -178.14 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -130.58 121.74 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.45 134.62 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -82.46 -42.08 18.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 24.3 m -56.26 -32.07 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 m -103.83 -16.98 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.03 16.18 59.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.0 pt -123.56 160.68 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -79.6 143.58 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 23.3 mmm180 -139.84 147.21 40.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 98' ' ' GLN . 38.3 mm -86.3 136.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.81 -144.14 10.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.9 Cg_endo -69.79 123.94 7.23 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.38 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' PRO . 18.9 ttpt -36.84 -40.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -47.43 -54.02 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 6.3 m-20 -86.48 35.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 54.6 m-85 -155.92 169.14 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 8.0 p90 -161.94 177.42 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 9.9 t60 -132.57 118.78 19.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.76 148.11 27.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.1 mt -84.61 -66.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.11 -42.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.42 -34.86 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' LEU . 10.0 t-20 71.45 37.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.45 179.32 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.3 m -96.53 145.63 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.09 150.36 36.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 7.2 t -80.12 143.69 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 130' ' ' ARG . 20.8 p -46.93 -47.97 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 127' ' ' THR . 48.8 t30 -35.52 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' THR . 29.1 mt -100.04 44.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 127' ' ' THR . 37.7 mtp180 -82.99 101.48 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.03 33.67 26.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.79 -44.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -61.73 156.11 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -102.66 137.59 40.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -106.81 -47.8 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.12 152.99 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -77.87 140.75 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.4 t -65.32 -58.24 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.63 -151.43 8.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.66 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -109.15 135.94 49.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -89.57 154.9 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.512 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.16 156.73 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -119.96 175.58 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.77 161.77 18.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -167.12 168.76 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -111.19 152.09 27.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.88 160.72 32.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.26 96.2 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.06 153.39 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -133.3 171.66 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -164.84 170.34 15.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -132.56 120.23 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.6 158.21 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -148.75 152.54 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 16' ' ' PRO . . . -92.71 107.07 3.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.588 ' HG2' HD11 ' A' ' 27' ' ' LEU . 54.0 Cg_endo -69.75 149.21 66.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -129.91 32.69 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.78 120.76 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 p -93.84 175.96 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -26.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -65.37 -62.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' LEU . 14.4 m-85 -143.32 146.05 33.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.87 92.93 9.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.525 HH12 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -136.94 150.57 48.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.28 38.11 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 26.3 p -155.08 131.26 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 16' ' ' PRO . 7.2 mp -87.25 140.08 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 36' ' ' LEU . 2.4 pp -90.62 128.99 36.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -67.94 143.35 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB1' ' SG ' ' A' ' 32' ' ' CYS . . . -107.29 106.28 57.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.95 2.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' HB1' ' A' ' 30' ' ' ALA . 4.3 p -96.39 -48.97 5.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -118.12 2.27 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' ALA . 18.2 t0 63.02 32.82 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -111.29 165.59 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 28' ' ' LEU . 5.4 mt -125.8 118.17 24.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' THR . 40.9 m-85 -123.35 148.05 46.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.5 m -31.17 -65.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.26 168.57 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.73 -34.87 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 mt -65.88 -35.23 80.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -64.77 -50.44 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -39.41 -62.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -54.92 -40.63 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.4 m -59.4 -38.91 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -105.65 24.57 12.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -148.12 164.96 32.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -25.07 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -103.9 165.46 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.53 146.03 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -110.15 149.45 30.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 31.9 m-20 -81.45 153.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -107.86 -10.26 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -104.94 -40.06 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG11 HD13 ' A' ' 28' ' ' LEU . 2.5 p -49.75 135.96 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -126.76 -31.12 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.93 163.53 27.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -154.27 164.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -132.89 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.1 t -84.12 149.51 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' CG2' HD13 ' A' ' 27' ' ' LEU . 2.6 pp -103.54 -7.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.44 ' ND2' HG21 ' A' ' 79' ' ' THR . 54.1 m-20 -89.85 -50.03 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.1 p -118.8 24.21 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.0 mt-10 31.07 49.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.72 138.53 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.58 133.22 34.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 2.2 pt20 -155.78 -177.69 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -174.96 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.31 119.69 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 5.2 pt20 -160.02 -177.4 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.34 -31.72 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.79 152.05 48.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.5 t -68.43 158.75 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -106.95 7.1 29.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -123.24 -33.33 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.02 -7.78 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t 55.08 41.42 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.44 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.0 m -87.84 120.47 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.41 111.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 36.7 m-85 -78.93 10.39 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.22 117.31 1.6 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -40.1 -40.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -101.3 122.06 43.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -126.92 114.64 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.34 143.48 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 87.5 p -96.44 -32.78 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -72.46 -55.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.8 m -84.2 -19.96 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 87' ' ' SER . 31.8 m80 64.37 36.39 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -105.71 151.82 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.0 m-85 -127.17 113.74 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -127.5 142.4 51.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -66.68 175.76 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -54.37 92.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -134.38 31.04 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.4 42.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -88.16 126.76 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 112' ' ' LYS . 5.6 p90 -103.35 168.85 8.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -124.34 128.56 49.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.2 t -98.2 114.99 27.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.59 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' NE2' ' A' ' 117' ' ' HIS . 60.3 m -54.05 -32.88 55.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.16 6.56 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.33 27.94 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.65 HD11 HH11 ' A' ' 108' ' ' ARG . 2.7 pp -137.35 171.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 15.6 m -97.49 149.36 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.65 HH11 HD11 ' A' ' 106' ' ' ILE . 39.7 mtp85 -147.93 158.09 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.6 mm -90.85 137.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.67 -139.77 5.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 112' ' ' LYS . 53.5 Cg_endo -69.73 121.82 5.63 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.327 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 99' ' ' TYR . 4.0 tptm -36.53 -39.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.86 -49.66 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.501 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 2.0 m-20 -89.68 32.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 62.8 m-85 -154.72 167.6 29.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -161.0 179.99 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 103' ' ' SER . 28.2 t60 -134.83 123.2 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.74 141.9 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.57 -64.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.15 -54.22 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -64.1 -25.65 68.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.58 48.67 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -165.26 178.11 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.03 144.69 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.31 142.7 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 t -73.24 141.32 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' ARG . 35.4 p -43.8 -44.63 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -40.82 -36.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.76 39.62 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' THR . 10.7 mmm180 -74.08 90.21 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.85 -49.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -41.67 -44.24 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -61.14 150.02 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 122.03 46.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 4.6 m -76.49 -53.81 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 137' ' ' GLU . 3.7 tp -59.64 143.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 136' ' ' ILE . 15.9 pt-20 -96.5 143.17 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.4 m -126.54 41.9 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -162.72 172.39 38.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.0 p -108.74 42.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.11 122.24 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -52.79 124.98 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -139.58 166.88 23.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.51 167.09 36.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -151.97 134.47 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 162.7 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 81.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -98.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.445 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -171.48 146.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.01 117.06 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -73.74 171.42 13.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 117.34 23.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.32 164.56 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -111.99 152.82 27.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' C ' ' HD3' ' A' ' 17' ' ' ARG . . . 154.85 63.12 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' GLY . 54.5 Cg_endo -69.72 -53.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.4 mpp_? 29.06 40.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 72.9 122.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 p -93.22 167.14 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.44 -29.13 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 37.5 m80 -63.92 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 91' ' ' LEU . 5.8 m-85 -135.73 137.79 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.1 m-20 -85.73 92.72 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -132.08 163.88 27.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.28 30.0 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 28.8 p -156.63 132.54 9.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD13 HG22 ' A' ' 62' ' ' ILE . 6.9 mp -86.13 143.38 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -93.24 133.29 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -68.64 145.72 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.81 103.78 50.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.21 2.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.61 -45.1 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -120.66 3.41 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 24.9 t70 60.48 29.44 19.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -108.81 179.65 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.2 mt -133.28 135.82 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' THR . 65.6 m-85 -143.3 143.71 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -32.46 -65.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.14 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.9 p -129.29 -174.56 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 23.5 ptt85 -75.5 -28.45 59.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 93.9 mt -74.46 -27.32 60.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 m -73.09 -40.73 64.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -52.11 -62.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -39.69 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 m -60.7 -35.07 75.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.66 22.86 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -150.31 168.02 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.24 -14.05 27.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -115.41 169.77 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.77 159.59 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -119.79 149.3 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 1.4 m-20 -84.76 161.37 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -109.96 -10.45 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -105.27 -43.83 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -51.33 143.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -130.86 -36.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.65 154.68 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -141.54 161.43 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -125.93 143.04 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 18.2 t -81.83 149.63 28.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.613 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 pp -103.77 -8.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 79' ' ' THR . 49.6 m-20 -89.72 -55.86 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -112.95 21.01 15.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' CYS . 10.7 mt-10 34.27 40.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 26.1 tptt -89.15 150.51 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.8 tp -91.73 140.77 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -166.38 171.44 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -100.74 173.38 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.98 118.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.4 pt20 -159.76 -175.53 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 85' ' ' TYR . 8.3 tt0 -106.99 -26.3 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.37 154.15 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.9 t -69.16 161.92 28.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -109.25 9.24 25.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -128.79 -35.0 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.62 -10.57 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 t 53.31 46.71 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.471 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.2 m -95.05 117.27 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -51.21 109.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 20.8 m-85 -75.54 6.21 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 142.3 118.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.1 mm-40 -37.28 -41.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.42 125.14 52.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 10.2 p90 -126.33 114.29 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.1 t -84.92 139.74 31.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 p -95.05 -30.68 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.8 mt -74.27 -48.65 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -91.1 -18.73 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.8 m80 63.45 34.65 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -107.88 152.52 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 8.5 m-85 -126.92 124.39 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' OE1' ' A' ' 98' ' ' GLN . 2.7 m-20 -132.42 144.62 50.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -68.75 174.61 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.64 96.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ARG . 34.4 mtmt -133.77 34.94 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER 35.4 52.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.439 ' CB ' HD13 ' A' ' 109' ' ' ILE . 10.8 pt20 -101.86 163.14 12.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CG ' ' HD2' ' A' ' 112' ' ' LYS . 12.2 p90 -139.14 152.58 47.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -103.62 124.07 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.6 t -82.08 132.51 35.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -80.57 -43.48 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 4.4 t -56.17 -38.71 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.8 m -94.42 -26.1 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.87 79.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.42 157.65 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.1 m -82.73 142.83 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -146.14 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 98' ' ' GLN . 46.0 mm -75.37 140.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -85.37 -141.01 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 54.1 Cg_endo -69.75 119.83 4.3 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.38 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 99' ' ' TYR . 45.6 tttt -35.86 -37.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.94 -51.2 54.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.6 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 5.0 m-20 -87.95 37.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 65.3 m-85 -158.07 168.66 26.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.1 p90 -165.44 178.61 6.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.8 t60 -130.76 128.48 40.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.8 t -95.41 142.79 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 122' ' ' ASN . 39.8 mt -78.99 -71.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 2.4 tmtm? -34.94 -53.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.7 m -68.27 -38.51 81.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' LEU . 40.6 t-20 72.26 48.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.18 169.68 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -92.35 136.05 33.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 133' ' ' HIS . 12.9 mt -137.29 152.43 49.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.0 t -77.2 144.49 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 115' ' ' PHE . 12.2 p -46.81 -45.0 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -40.86 -42.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.1 mt -94.06 38.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' THR . 22.2 ptt180 -78.18 45.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.7 -37.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -57.24 -51.73 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 3.9 p-80 -59.07 123.17 15.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.574 ' HG3' HG22 ' A' ' 136' ' ' ILE . 12.4 ptmt -97.52 126.77 42.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.96 95.15 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.574 HG22 ' HG3' ' A' ' 134' ' ' LYS . 1.1 tp -161.27 138.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.498 ' N ' HG13 ' A' ' 136' ' ' ILE . 10.3 pt-20 -109.67 159.0 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.0 t -49.7 -52.93 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -39.04 130.79 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.79 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t 69.89 41.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.8 m -74.33 150.45 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.512 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -157.46 113.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -85.59 137.07 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.25 18.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -80.18 173.84 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -143.29 166.42 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.27 -113.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.51 -102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -175.05 142.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 111.176 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 149.43 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -113.28 -65.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tp -169.1 152.17 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.07 165.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -117.25 18.01 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.31 148.71 2.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' CB ' HD11 ' A' ' 27' ' ' LEU . 53.9 Cg_endo -69.75 -54.44 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.389 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 16' ' ' PRO . 2.9 mpt_? 32.59 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 77.16 125.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -95.93 166.03 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -46.54 -29.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -60.86 -64.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.9 m-85 -141.97 129.25 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 1.3 m-20 -73.2 91.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.548 HH12 HD23 ' A' ' 28' ' ' LEU . 2.3 ptp180 -131.51 160.53 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.13 31.14 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 25.9 p -153.24 129.29 10.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 62' ' ' ILE . 7.9 mp -85.84 141.9 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.9 pp -92.24 125.09 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.71 149.09 36.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -110.34 104.17 55.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 p -99.45 -44.83 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.3 p -122.71 7.84 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' ALA . 29.5 t70 54.67 38.24 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 7.6 mtpm? -115.09 177.55 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -132.57 128.67 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 38' ' ' THR . 86.7 m-85 -135.41 144.39 46.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' TYR . 2.3 m -28.76 -63.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.1 p -133.96 -174.27 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.89 -37.16 85.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' CYS . 29.4 mt -65.29 -59.12 4.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' LEU . 65.2 m -36.75 -46.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 29.7 t-80 -47.93 -64.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -36.09 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -63.06 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -103.96 24.07 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -150.12 175.81 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -104.19 -23.24 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -101.0 156.61 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -89.33 142.65 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -108.14 146.77 32.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -84.29 151.41 24.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -109.47 -10.15 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -101.9 -38.5 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -64.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.61 138.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -125.03 -38.68 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.85 166.04 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.91 155.27 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.1 141.67 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.2 t -79.54 150.41 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD13 ' A' ' 27' ' ' LEU . 2.0 pp -104.81 -9.88 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.74 -53.6 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.2 p -115.74 21.22 14.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' CYS . 36.8 mt-10 33.27 43.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -95.54 144.39 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.0 tp -81.9 147.23 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -172.73 177.64 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.65 -176.66 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.64 116.95 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.0 pt20 -157.16 178.8 9.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -102.53 -27.88 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.84 43.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.6 t -74.79 163.91 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -109.38 4.46 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.79 -34.95 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.43 -8.23 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 t 52.14 39.35 26.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -85.77 117.62 24.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 tp -54.89 111.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 42.0 m-85 -79.17 10.25 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.93 123.24 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.422 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -44.11 -38.84 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -105.89 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 4.6 p90 -123.69 117.42 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.2 t -96.2 139.51 32.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.9 p -96.18 -34.1 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.51 -55.54 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.7 m -84.34 -17.96 37.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 m80 64.05 32.18 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -104.63 153.56 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 23.5 m-85 -135.83 115.51 12.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.03 146.1 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 23' ' ' ASP . 39.4 pttt -60.19 -179.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.85 93.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -130.3 23.91 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.91 53.18 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 109' ' ' ILE . 5.3 tt0 -96.45 125.48 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 108' ' ' ARG . 11.0 p90 -104.99 142.18 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -95.82 115.92 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 50.8 t -79.84 126.38 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.76 -45.91 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 1.2 t -53.82 -28.7 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.433 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.4 m -108.03 0.29 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.18 23.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 108' ' ' ARG . 2.7 pp -131.31 169.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 111.176 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.3 m -83.74 148.16 27.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 1.1 mmp_? -141.64 149.58 40.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 98' ' ' GLN . 45.5 mm -95.44 133.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.44 -146.48 14.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.5 Cg_endo -69.72 125.24 8.3 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 17.6 ttpp -37.87 -39.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -45.34 -55.37 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.45 ' C ' HG23 ' A' ' 127' ' ' THR . 44.1 m-20 -87.13 28.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' HG23 ' A' ' 127' ' ' THR . 44.4 m-85 -146.56 169.5 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 5.8 p90 -164.65 176.51 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 8.1 t60 -131.46 127.25 36.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.79 135.95 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 122' ' ' ASN . 55.5 mt -72.5 -65.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -39.65 -54.19 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.7 m -66.54 -28.01 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 119' ' ' LEU . 28.0 m-80 61.8 52.02 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.76 -177.52 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 56.0 m -104.09 141.05 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 133' ' ' HIS . 16.2 mt -143.03 156.41 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.478 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 10.0 t -84.79 144.62 28.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 115' ' ' PHE . 40.0 p -45.33 -40.49 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.39 -44.13 16.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 132' ' ' LYS . 79.7 mt -92.1 42.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -56.25 -42.01 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . -117.72 -39.1 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.493 ' HB3' HD22 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -35.41 -52.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.1 p-80 -60.69 131.88 52.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -110.35 121.41 45.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.52 -69.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 137' ' ' GLU . 2.3 tp -66.49 140.72 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' N ' HG13 ' A' ' 136' ' ' ILE . 44.7 mt-10 -125.09 144.99 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.5 p -79.15 -49.6 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 91.47 94.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -170.55 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.5 t -157.77 169.83 23.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -131.64 114.02 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -134.95 107.65 7.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -113.53 91.3 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 164.43 38.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m -62.33 102.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -139.92 120.69 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.01 157.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.23 -121.62 2.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -36.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -144.19 155.04 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -153.65 153.33 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -42.84 159.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.42 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -115.43 132.86 56.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 -77.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' C ' ' HD3' ' A' ' 17' ' ' ARG . 53.8 Cg_endo -69.74 -167.69 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HG3' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.13 117.94 1.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.544 ' SG ' HG21 ' A' ' 38' ' ' THR . 5.7 p -110.71 162.12 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -43.87 -30.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -63.67 -65.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 91' ' ' LEU . 17.9 m-85 -138.37 151.48 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' CB ' ' HG2' ' A' ' 94' ' ' LYS . 7.3 m-20 -97.81 95.0 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -138.13 165.05 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -122.1 32.85 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 23.2 p -155.92 128.19 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 62' ' ' ILE . 5.9 mp -81.47 140.43 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -91.29 129.1 37.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -66.08 144.75 56.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.33 105.47 55.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.568 0.699 . . . . 0.0 111.074 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.13 2.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.632 2.221 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -96.28 -44.06 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -123.97 4.02 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ALA . 26.3 t70 59.04 38.89 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -113.5 176.3 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -132.99 120.25 21.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 38' ' ' THR . 56.8 m-85 -129.88 148.31 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' SG ' ' A' ' 19' ' ' CYS . 4.1 m -33.33 -64.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -132.24 -175.44 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.22 -31.1 68.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 83.0 mt -71.11 -36.88 72.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.63 -44.67 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 21.4 t-80 -51.79 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -37.09 64.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.9 m -63.05 -34.33 77.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -109.26 23.65 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.84 160.04 42.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.13 -14.81 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -113.56 158.52 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -94.55 138.86 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -104.2 153.15 21.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.1 t70 -88.87 166.58 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' NH1' ' A' ' 40' ' ' ARG . 7.6 ptt180 -118.28 -5.24 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -103.97 -39.84 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -54.99 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -46.51 138.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -128.09 -31.17 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 159.16 21.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.51 161.28 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -125.1 143.97 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -85.41 149.94 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.5 pp -107.4 -10.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -85.4 -42.63 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.0 p -128.8 21.66 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 74.6 mt-10 35.3 41.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 15.7 tptp -94.24 149.83 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 19.7 tp -89.02 145.68 25.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -169.21 172.37 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.5 178.35 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.75 115.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.7 pt20 -157.19 -175.01 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.63 -28.19 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.459 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.79 155.43 47.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.93 163.4 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -109.05 3.43 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -121.68 -34.88 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.12 -13.39 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' C ' HG22 ' A' ' 73' ' ' THR . 4.3 t 59.7 38.88 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -86.88 126.7 34.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.58 112.92 3.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.1 m-85 -80.19 9.3 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.8 114.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -38.13 -41.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB2' ' NE2' ' A' ' 98' ' ' GLN . 14.9 m-85 -102.38 123.13 45.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 15.1 p90 -127.56 114.28 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.2 t -86.87 143.84 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 m -97.14 -33.15 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.83 -52.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.73 -19.16 33.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.0 m80 61.85 38.07 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.609 HD21 ' CG ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -111.09 155.4 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 7.1 m-85 -133.74 119.27 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.609 ' CG ' HD21 ' A' ' 91' ' ' LEU . 68.6 m-20 -125.91 132.29 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -56.33 163.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.49 ' N ' ' HD3' ' A' ' 94' ' ' LYS . 4.8 p-10 -43.68 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 93' ' ' ASP . 53.5 mtmt -134.66 23.95 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 40.61 55.03 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 93' ' ' ASP . 18.5 pm0 -110.85 167.19 10.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 112' ' ' LYS . 50.3 p90 -134.82 -178.38 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -129.11 118.13 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.78 134.61 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -84.6 -41.45 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -56.22 -33.18 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.33 -25.96 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.21 19.27 79.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.2 pt -128.06 162.39 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.3 m -83.02 147.94 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -142.73 143.38 32.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 98' ' ' GLN . 35.9 mm -81.48 135.01 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -83.21 -147.12 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLU . 54.0 Cg_endo -69.76 121.37 5.34 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.354 0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -37.07 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 111' ' ' PRO . 37.9 mt-10 -59.44 -49.23 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.99 34.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CE2' ' HB ' ' A' ' 126' ' ' THR . 51.2 m-85 -150.52 169.9 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 116' ' ' PHE . 4.9 p90 -163.11 174.13 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -128.29 129.61 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.5 t -92.78 139.47 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' ASN . 57.8 mt -80.07 -67.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 135' ' ' CYS . 8.1 tmtm? -42.04 -45.1 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 57.7 m -73.32 -26.2 60.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 119' ' ' LEU . 43.1 m-80 61.1 46.95 7.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.39 175.02 12.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 45.5 m -95.81 149.7 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 mt -153.1 152.96 31.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 5.7 t -82.72 149.88 27.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 41.2 p -47.98 -40.44 22.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -42.47 -38.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.82 46.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 116' ' ' PHE . 11.7 ptt180 -82.81 41.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 165.55 -60.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' GLY . 16.8 tttp -34.98 -47.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 2.1 p-80 -61.36 142.67 56.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -106.39 134.91 48.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -98.75 100.86 12.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.51 148.07 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.62 166.69 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.2 p -127.69 164.55 21.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.44 -152.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.8 2.64 3.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 140' ' ' PRO . 17.8 t -35.25 115.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.3 t -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.478 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -98.19 170.7 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -138.84 163.45 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -161.72 22.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -75.16 114.4 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -174.97 121.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.46 -144.76 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.19 -116.83 4.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 10' ' ' ARG . 8.9 p -172.82 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG22 ' A' ' 9' ' ' VAL . 14.6 mtp180 -150.23 109.71 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.57 175.89 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.33 111.13 21.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.99 153.04 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' H ' ' CD ' ' A' ' 14' ' ' GLN . 6.7 pm0 -85.19 148.33 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.49 110.02 3.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.686 ' O ' HD13 ' A' ' 62' ' ' ILE . 54.0 Cg_endo -69.74 161.35 46.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -130.34 36.11 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 125.74 5.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.54 171.72 8.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.48 -23.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 41' ' ' LEU . 39.6 m80 -71.08 -58.57 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -145.22 155.63 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 91.85 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.765 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -129.74 158.02 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.32 33.86 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 19.6 p -155.83 131.33 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 16' ' ' PRO . 6.9 mp -84.72 141.59 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.5 pp -91.43 119.12 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -55.36 143.96 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -107.28 99.48 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.73 2.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p -93.73 -41.11 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -129.24 6.37 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 24.2 t70 61.97 31.03 18.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -108.49 170.63 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.06 124.37 34.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' THR . 57.1 m-85 -131.25 146.05 52.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' TYR . 14.3 m -31.34 -64.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.08 -176.67 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' HD21 ' A' ' 28' ' ' LEU . 2.2 ppt_? -70.99 -36.97 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 21' ' ' HIS . 16.7 mt -68.93 -23.79 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -75.12 -47.13 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 47' ' ' GLU . 20.7 t-80 -47.71 -64.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.74 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -57.46 -38.43 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -107.33 26.65 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 5.9 mm-40 -147.21 153.52 39.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -80.51 -18.41 48.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -112.59 163.83 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.17 143.47 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.01 150.97 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -88.8 146.01 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -99.56 -13.2 19.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.38 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -61.62 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.48 143.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -128.79 -39.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 mm-40 -74.92 170.49 15.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 58' ' ' GLU . 24.0 m -157.22 150.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -116.16 142.0 47.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 12.3 t -79.84 150.93 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 16' ' ' PRO . 2.4 pp -103.74 -7.19 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 79' ' ' THR . 23.7 m-20 -94.04 -49.61 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.523 ' O ' ' C ' ' A' ' 65' ' ' GLU . 29.2 p -117.92 21.6 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 64' ' ' CYS . 48.0 mm-40 28.17 50.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 27.8 tptt -104.72 144.49 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 12.6 tp -78.39 151.92 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.8 pt20 -172.95 179.9 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.6 167.3 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.44 117.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 29.0 pt20 -159.52 -177.28 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.05 -29.01 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -129.48 148.54 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.75 150.17 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.66 19.11 18.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.67 -39.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -117.92 -16.08 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t 64.91 45.65 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 63' ' ' ASN . 2.3 m -95.13 115.79 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.0 108.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 38.1 m-85 -75.57 6.5 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 127.61 2.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -44.16 -43.53 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -106.66 137.93 43.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 85' ' ' TYR . 12.5 p90 -138.33 121.99 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 t -93.55 141.09 28.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 83.7 p -94.07 -29.29 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -76.17 -55.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -83.24 -20.03 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 87' ' ' SER . 29.1 m80 63.21 41.84 7.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -111.4 154.46 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.1 m-85 -133.25 113.65 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' OD2' ' NE2' ' A' ' 98' ' ' GLN . 25.9 t0 -131.48 144.34 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 178.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -64.39 93.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -134.99 39.0 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 47.09 47.72 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.486 ' NE2' ' OD2' ' A' ' 93' ' ' ASP . 11.7 tt0 -109.74 122.19 46.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.531 ' CZ ' ' HE3' ' A' ' 112' ' ' LYS . 32.8 p90 -112.02 -178.83 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -129.82 143.42 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 27.5 t -113.97 124.36 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.39 -45.67 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 117' ' ' HIS . 50.2 m -52.58 -32.92 43.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 106' ' ' ILE . 76.0 m -103.88 1.55 31.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.47 25.62 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 104' ' ' CYS . 2.7 pp -134.4 171.73 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.08 148.5 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 12.9 mtp-105 -146.58 168.18 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.1 mm -94.7 136.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 111' ' ' PRO . . . -88.24 -139.45 6.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' HA3' ' A' ' 110' ' ' GLY . 53.8 Cg_endo -69.74 120.74 4.9 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.319 0.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.531 ' HE3' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.64 -36.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -48.86 -54.94 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.565 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 7.4 m-20 -85.75 37.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 69.3 m-85 -157.12 166.99 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 130' ' ' ARG . 4.1 p90 -158.46 177.51 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.586 ' CE1' ' HB2' ' A' ' 103' ' ' SER . 25.6 t60 -130.09 121.83 27.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.47 141.9 28.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 122' ' ' ASN . 23.9 mt -77.47 -69.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' LEU . 16.2 mmtm -37.81 -48.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.1 m -70.65 -39.16 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' LEU . 13.3 t-20 71.16 45.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 123' ' ' LEU . 2.4 pp -161.52 167.03 26.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 64.3 m -89.19 132.37 34.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.55 HD13 ' ND1' ' A' ' 133' ' ' HIS . 11.4 mt -132.8 160.71 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.7 t -83.64 141.27 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 116' ' ' PHE . 20.8 p -43.52 -36.44 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -50.33 -41.1 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.73 26.83 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 1.8 ptm180 -60.3 87.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' LYS . . . 98.86 -50.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' GLY . 18.9 mtpp -37.99 -43.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.55 ' ND1' HD13 ' A' ' 125' ' ' LEU . 12.5 p-80 -61.2 157.2 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -97.17 135.7 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 m -107.21 -52.56 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 137' ' ' GLU . 4.9 tp -82.4 142.59 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 136' ' ' ILE . 7.0 mm-40 -150.67 120.54 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.5 t -115.31 133.02 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.85 170.12 23.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.274 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.0 t -110.54 137.23 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.0 t -155.87 155.81 33.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -133.5 171.29 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -142.06 113.07 7.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 116.14 2.14 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -96.68 82.79 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -101.0 139.73 36.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.65 57.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.77 91.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 139.68 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -107.85 152.44 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -171.64 169.35 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -55.14 171.07 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.52 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.07 149.21 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 17' ' ' ARG . . . -74.69 -159.43 6.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.76 -60.93 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.301 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 26.62 43.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . 76.53 125.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 p -97.66 172.46 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -49.64 -29.06 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -65.95 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -134.87 148.17 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 4.1 m-20 -93.23 91.97 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -134.57 149.39 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.04 39.19 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 81' ' ' PHE . 29.3 p -161.52 128.2 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 62' ' ' ILE . 7.1 mp -80.67 140.19 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.0 pp -91.35 125.84 36.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -59.67 148.18 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.95 102.78 51.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 p -96.62 -46.35 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -124.95 13.64 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 15.0 t0 52.79 33.61 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -108.43 172.08 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 mt -128.93 126.72 40.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' THR . 61.8 m-85 -136.93 144.68 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' TYR . 5.1 m -34.65 -61.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -134.38 -179.5 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 9.5 ptt-85 -74.0 -30.2 62.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 76.6 mt -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -80.49 -34.34 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -56.04 -61.1 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -41.21 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -57.4 -38.43 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -103.99 21.98 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -147.81 177.89 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -105.75 -23.38 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -104.11 160.36 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -93.74 143.46 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -106.51 148.82 27.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.5 t70 -87.7 167.42 13.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -116.0 -7.62 11.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -101.26 -44.6 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -47.25 -63.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 p -54.9 133.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.0 ttpp -121.99 -35.76 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 165.61 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.84 149.71 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -112.23 139.48 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 24.4 t -77.9 150.46 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 27' ' ' LEU . 2.4 pp -105.33 -11.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' ND2' HG21 ' A' ' 79' ' ' THR . 2.4 m120 -85.63 -53.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' GLU . 31.2 p -115.64 18.78 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 13.7 mt-10 34.12 46.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 12.7 tptm -101.59 145.82 28.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 27.1 tp -77.97 155.14 30.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 1.5 pt20 -175.57 -175.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.41 166.66 12.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' LYS . . . -37.67 118.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 28.0 pt20 -162.17 -176.12 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -106.88 -27.53 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -131.88 152.35 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.9 t -67.07 163.21 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.45 4.05 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -122.31 -38.07 2.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.17 -10.06 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 73' ' ' THR . 7.6 t 53.76 47.6 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.434 HG21 ' ND2' ' A' ' 63' ' ' ASN . 7.1 m -93.99 114.25 26.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.0 tp -50.46 109.35 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' CYS . 49.2 m-85 -77.19 7.19 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.34 124.95 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -45.22 -44.66 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.19 136.22 40.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.71 118.72 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.4 t -93.92 134.31 36.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.6 p -90.71 -30.4 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mt -72.91 -53.19 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.45 -21.17 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.4 m80 66.07 40.59 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -117.47 156.09 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 9.7 m-85 -125.99 117.75 23.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HD21 ' A' ' 91' ' ' LEU . 19.3 t70 -126.42 129.21 48.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.1 mttm -54.13 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.07 86.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -127.92 38.27 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 39.78 51.71 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 109' ' ' ILE . 6.3 tt0 -94.19 129.55 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 18.1 p90 -112.49 134.16 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -88.59 110.93 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.5 129.66 40.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.6 -45.06 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 8.6 t -54.69 -38.28 66.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.4 m -94.82 -25.39 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.69 23.62 77.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.08 155.7 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 17.8 m -74.11 140.01 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.12 137.95 36.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.551 HD13 ' HB2' ' A' ' 98' ' ' GLN . 40.9 mm -81.43 122.47 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.3 -138.37 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.78 124.44 7.63 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.332 0.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' PRO . 19.7 tttp -34.7 -38.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -47.44 -55.23 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.575 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 28.9 t70 -85.81 34.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 63.9 m-85 -156.64 168.43 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 125' ' ' LEU . 11.6 p90 -160.76 179.35 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 103' ' ' SER . 19.1 t60 -133.55 125.39 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.0 t -94.62 143.91 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' ASN . 63.2 mt -80.54 -66.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -39.2 -45.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 70.7 m -72.45 -36.06 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 119' ' ' LEU . 63.3 t30 72.5 38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.27 172.4 18.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 51.8 m -87.95 141.24 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.468 HD13 ' ND1' ' A' ' 133' ' ' HIS . 17.0 mt -139.82 147.17 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.7 t -77.74 144.62 37.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 75.0 p -47.96 -39.78 20.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -47.73 -31.42 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.2 mt -100.99 41.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -76.3 88.42 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.71 -52.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -38.87 -48.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.468 ' ND1' HD13 ' A' ' 125' ' ' LEU . 6.0 p-80 -60.28 138.82 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -105.07 121.57 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.11 -60.1 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 137' ' ' GLU . 6.7 tp -62.84 145.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 136' ' ' ILE . 32.1 mt-10 -119.76 96.49 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -80.29 47.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.52 -160.08 25.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 m -95.75 -56.51 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p -114.83 48.09 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -42.37 -43.54 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -108.79 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.38 -122.96 2.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -80.86 170.58 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -109.55 -57.93 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.06 172.01 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' C ' ' CG2' ' A' ' 9' ' ' VAL . . . -132.15 -105.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 8' ' ' GLY . 1.6 t -154.33 105.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 166.66 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -123.4 156.33 35.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -66.36 158.41 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -152.37 111.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.99 -77.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.24 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.61 ' HG3' HD13 ' A' ' 62' ' ' ILE . 3.4 mpt_? 61.17 29.08 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.33 107.85 1.87 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 p -96.27 169.14 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.1 -19.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -76.89 -63.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 91' ' ' LEU . 18.5 m-85 -142.7 166.78 23.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . 76.9 m-20 -108.39 93.14 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.726 HH12 HD23 ' A' ' 28' ' ' LEU . 1.1 ptp180 -131.07 156.26 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 62' ' ' ILE . . . -114.99 35.59 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 16.8 p -157.47 126.44 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 62' ' ' ILE . 6.9 mp -82.87 139.45 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 28' ' ' LEU . 3.6 pp -90.23 121.98 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' O ' HG21 ' A' ' 56' ' ' VAL . 17.0 tptt -57.6 149.09 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' ASP . . . -109.41 104.8 56.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.34 2.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 p -98.09 -47.23 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 p -122.45 8.55 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' ALA . 23.9 t70 57.36 29.94 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -104.5 178.31 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.99 133.05 40.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' THR . 81.5 m-85 -141.88 147.01 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m -31.7 -67.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.189 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -130.37 171.22 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' HD21 ' A' ' 28' ' ' LEU . 1.2 ppt_? -57.29 -37.1 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -36.73 82.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 m -59.02 -46.62 87.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' LEU . 18.6 t-80 -46.8 -61.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.92 -36.5 62.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -62.28 -40.02 94.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 13.8 m-80 -105.16 24.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 6.8 mm-40 -146.25 168.96 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -98.08 -23.29 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -104.79 157.56 17.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -87.82 135.26 33.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -99.06 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 2.7 m-20 -77.21 153.0 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.45 -14.77 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -104.29 -37.69 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -60.71 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 29' ' ' LYS . 3.4 p -49.09 130.18 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -122.33 -36.7 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 160.8 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.55 152.75 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -118.99 144.8 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 34.2 t -82.55 150.1 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 17' ' ' ARG . 2.6 pp -106.15 -11.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.94 -45.87 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' GLU . 30.8 p -126.34 24.18 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 3.2 mm-40 33.86 38.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 46.3 tptt -87.36 150.8 23.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 38.4 tp -90.91 143.97 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -169.66 175.27 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.51 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.64 117.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' O ' ' CE1' ' A' ' 92' ' ' PHE . 6.2 pt20 -160.03 -178.88 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' GLU . 4.0 tt0 -104.5 -27.52 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -132.32 153.63 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.19 159.72 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.21 10.51 31.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -129.49 -37.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.1 p -117.5 -10.04 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 21.9 t 54.84 44.19 28.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 m -92.7 118.74 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 HD23 ' OE2' ' A' ' 83' ' ' GLU . 13.5 tp -54.74 110.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 26' ' ' CYS . 22.9 m-85 -77.36 2.91 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . 145.81 117.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 80' ' ' LEU . 15.6 mp0 -35.22 -49.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.96 124.44 48.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 6.8 p90 -122.68 118.43 28.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' HIS . 13.7 t -92.98 143.47 26.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 28.2 m -96.99 -34.14 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.2 -55.11 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.2 m -86.11 -13.96 45.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 87' ' ' SER . 35.8 m80 56.46 42.61 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -113.79 155.44 25.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 71' ' ' GLN . 6.8 m-85 -135.29 126.52 28.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.53 143.06 48.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 23' ' ' ASP . 8.2 mmtp -57.26 -179.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.82 78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -119.66 31.89 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.91 51.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.66 135.1 33.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -121.53 135.8 54.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -95.64 130.47 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 47.0 t -88.47 138.13 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.22 -40.78 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.514 ' CB ' ' CE1' ' A' ' 117' ' ' HIS . 5.5 m -58.35 -33.71 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 63.5 m -100.68 -27.82 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.85 74.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.26 156.69 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.2 m -83.45 145.53 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.0 mtp-105 -150.5 144.43 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.01 117.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.411 ' HA3' ' C ' ' A' ' 111' ' ' PRO . . . -79.51 -120.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 112' ' ' LYS . 54.0 Cg_endo -69.74 131.29 18.82 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.358 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' PRO . 23.9 tptt -34.39 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' PHE . 14.5 m-20 -88.82 35.33 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 114' ' ' ASP . 43.1 m-85 -154.61 169.08 24.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.532 ' CE2' ' HD2' ' A' ' 130' ' ' ARG . 5.1 p90 -157.64 176.01 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 103' ' ' SER . 18.8 t60 -132.66 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.1 t -86.69 140.84 29.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.37 -61.01 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -43.59 -56.52 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.83 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 62.59 40.65 10.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pp -158.4 175.41 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.406 ' SG ' ' HD3' ' A' ' 108' ' ' ARG . 10.2 m -92.64 148.3 22.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . 36.7 mt -149.82 146.1 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 115' ' ' PHE . 8.6 t -73.98 149.14 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.5 p -49.66 -26.98 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -57.64 -38.12 74.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.47 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HD2' ' CE2' ' A' ' 116' ' ' PHE . 16.7 tpt85 -77.0 48.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.5 -44.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -53.65 -36.44 62.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 133' ' ' HIS . 1.5 p-80 -66.47 152.28 45.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -118.52 118.73 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 15.8 m -67.02 -47.22 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.7 tt -82.84 143.6 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -107.57 160.83 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.8 t -111.1 166.47 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 140' ' ' PRO . . . -92.42 108.23 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 139' ' ' GLY . 53.6 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.614 2.21 . . . . 0.0 112.372 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.8 p -111.1 175.95 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 t -79.37 121.76 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_