data_6jhd_residue ############################ # Computer software used # ############################ 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 6jhd _Structure_validation_residue.Date_analyzed 2020-02-14 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 ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.791 0.329 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' ARG . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 39' ' ' PRO . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.435 ' CG ' HD11 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.412 HG22 ' CE2' ' A' ' 85' ' ' PHE . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 70' ' ' THR . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' CB ' ' CZ2' ' A' ' 141' ' ' TRP . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' HD12 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' ' 85' ' ' PHE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.435 HD11 ' CG ' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.428 ' CE2' HD22 ' A' ' 131' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.507 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.529 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 39' ' ' PRO . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' CB ' HD11 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.416 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 73' ' ' SER . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.425 ' HA ' ' CE1' ' A' ' 113' ' ' TYR . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 117' ' ' ILE . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 127' ' ' ILE . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE2' HD23 ' A' ' 131' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 141' ' ' TRP . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.492 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 85' ' ' PHE . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 148' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.835 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.517 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 1.2 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 85' ' ' PHE . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' HB2' HD12 ' A' ' 89' ' ' LEU . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 73' ' ' SER . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.449 ' CE2' HG21 ' A' ' 64' ' ' THR . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 65' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.421 ' CE2' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.474 ' CG2' ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.474 ' CE1' ' CG2' ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 21' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.523 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.781 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.781 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG12 ' CE1' ' A' ' 43' ' ' PHE . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 61' ' ' ILE . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.455 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' CD2' ' NH2' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 64' ' ' THR . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 65' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.456 HG22 HD11 ' A' ' 107' ' ' ILE . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 143' ' ' VAL . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.423 ' CE2' HD22 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.422 ' NH2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.405 ' N ' ' HE1' ' A' ' 21' ' ' MET . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' SER . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 43' ' ' PHE . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.427 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 16' ' ' ILE . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 149' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 2.9 mp0 -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 39' ' ' PRO . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 116' ' ' SER . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 37.1 t-80 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 58' ' ' HIS . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 117' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.425 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 113' ' ' TYR . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 141' ' ' TRP . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD22 ' A' ' 131' ' ' LEU . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.407 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.442 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 155' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.444 ' N ' HD11 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' CG ' ' A' ' 85' ' ' PHE . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.422 HD23 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.418 ' OG ' ' CH2' ' A' ' 141' ' ' TRP . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 85' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.436 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.436 HD12 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.432 ' CE2' HD22 ' A' ' 131' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.447 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.7 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 68' ' ' PHE . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 107' ' ' ILE . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 106' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.402 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 113' ' ' TYR . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE2' HD23 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 145' ' ' ARG . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.554 ' CD2' ' HB3' ' A' ' 43' ' ' PHE . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.434 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 16' ' ' ILE . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.432 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.549 ' HB3' HD23 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG13 ' CE1' ' A' ' 43' ' ' PHE . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' HB2' ' A' ' 155' ' ' SER . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 124' ' ' PHE . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 87' ' ' ILE . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 85' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 117' ' ' ILE . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' CG ' ' A' ' 39' ' ' PRO . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CE2' HD11 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.419 ' CE3' HD22 ' A' ' 131' ' ' LEU . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.626 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.452 ' N ' HD13 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.666 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' HD22 ' A' ' 158' ' ' LEU . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 49' ' ' GLN . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 73' ' ' SER . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB3' ' CH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 17' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 113' ' ' TYR . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.473 HD11 HG22 ' A' ' 117' ' ' ILE . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CD1' ' CG ' ' A' ' 63' ' ' GLN . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 141' ' ' TRP . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.436 ' CH2' ' HB3' ' A' ' 73' ' ' SER . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.507 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.432 ' CD1' HG23 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 43' ' ' PHE . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 61' ' ' ILE . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 107' ' ' ILE . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.405 ' N ' HG12 ' A' ' 106' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.436 HG22 HD12 ' A' ' 117' ' ' ILE . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.439 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.545 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 43' ' ' PHE . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.48 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 148' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.584 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 43' ' ' PHE . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 70' ' ' THR . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' OG ' ' CH2' ' A' ' 141' ' ' TRP . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 113' ' ' TYR . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 117' ' ' ILE . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.487 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 141' ' ' TRP . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.425 ' CE2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.421 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.475 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.99 0.424 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 139' ' ' CYS . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.696 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.696 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 158' ' ' LEU . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD1' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 127' ' ' ILE . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.424 HD22 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 131' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 57' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.514 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.754 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.754 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 18.1 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.427 HG22 ' CE1' ' A' ' 113' ' ' TYR . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 107' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 136' ' ' TYR . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE3' HD21 ' A' ' 131' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 140' ' ' ALA . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 155' ' ' SER . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.528 ' N ' HD12 ' A' ' 154' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.742 0.306 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' HD13 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HA ' HG12 ' A' ' 143' ' ' VAL . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 ' CE1' ' A' ' 43' ' ' PHE . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 57' ' ' LEU . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' CE1' ' A' ' 152' ' ' PHE . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD2' HD22 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 85' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 87' ' ' ILE . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.424 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 113' ' ' TYR . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.422 ' CH2' HD22 ' A' ' 67' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 33' ' ' ARG . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.505 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' SER . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 155' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 151' ' ' SER . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 85' ' ' PHE . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG2' HG12 ' A' ' 148' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.791 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 39' ' ' PRO . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 73' ' ' SER . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 68' ' ' PHE . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 69' ' ' SER . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 85' ' ' PHE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 117' ' ' ILE . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 37' ' ' GLU . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 150' ' ' ARG . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.91 118.76 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mp -76.0 142.45 72.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.78 -45.89 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.508 2.139 . . . . 0.0 112.363 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.91 82.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.88 -176.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -95.01 130.23 41.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -121.86 161.68 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.35 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.01 -176.11 49.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -107.85 -24.66 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 59.49 20.97 9.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' ARG . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 39' ' ' PRO . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.435 ' CG ' HD11 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.412 HG22 ' CE2' ' A' ' 85' ' ' PHE . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 70' ' ' THR . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' CB ' ' CZ2' ' A' ' 141' ' ' TRP . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' HD12 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' ' 85' ' ' PHE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.435 HD11 ' CG ' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.428 ' CE2' HD22 ' A' ' 131' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.507 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.47 -37.46 17.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -63.13 -25.94 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 62.03 31.56 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.67 104.11 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.7 mttt 63.54 137.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.6 t -121.94 -123.1 0.27 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.512 0.673 . . . . 0.0 110.116 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.49 39.62 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.81 137.03 38.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.46 86.39 0.16 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.67 81.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.583 2.189 . . . . 0.0 112.271 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 35.13 25.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -91.67 -47.0 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -82.33 147.11 29.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 p -164.25 31.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -106.71 -66.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.5 168.37 38.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -87.06 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.86 80.57 0.21 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 39' ' ' PRO . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' CB ' HD11 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.416 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 73' ' ' SER . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.425 ' HA ' ' CE1' ' A' ' 113' ' ' TYR . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 117' ' ' ILE . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 127' ' ' ILE . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE2' HD23 ' A' ' 131' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 141' ' ' TRP . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.492 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 -52.77 -52.99 54.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.67 -36.09 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 57.87 19.56 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.3 mp 46.59 40.96 9.18 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 111.406 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.84 28.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.5 t -125.31 6.53 7.75 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp 57.58 39.49 27.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -101.98 128.94 48.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.23 103.75 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.39 -60.32 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.509 2.139 . . . . 0.0 112.403 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.87 162.95 19.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -67.43 154.37 41.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -86.68 91.39 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.19 -41.19 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.64 162.0 25.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.31 -70.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.128 0.49 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.53 28.82 18.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 85' ' ' PHE . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 148' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.835 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.517 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 1.2 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 85' ' ' PHE . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' HB2' HD12 ' A' ' 89' ' ' LEU . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 73' ' ' SER . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.449 ' CE2' HG21 ' A' ' 64' ' ' THR . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 65' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.421 ' CE2' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.474 ' CG2' ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.474 ' CE1' ' CG2' ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.88 -35.71 34.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -67.57 -29.56 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 128.58 38.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.88 -68.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.28 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 40.5 t -122.91 -123.41 0.27 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.487 0.66 . . . . 0.0 110.107 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 42.29 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.949 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.47 116.23 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mt -130.24 82.88 64.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 154.2 11.95 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.562 2.175 . . . . 0.0 112.276 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.18 172.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.9 p -76.95 159.52 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -89.19 121.25 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -130.48 162.97 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tt 59.91 160.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.99 -130.46 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.51 -110.41 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.081 -0.07 . . . . 0.0 110.908 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 59.23 21.23 9.36 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 21' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.523 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.781 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.781 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG12 ' CE1' ' A' ' 43' ' ' PHE . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 61' ' ' ILE . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.455 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' CD2' ' NH2' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 64' ' ' THR . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 65' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.456 HG22 HD11 ' A' ' 107' ' ' ILE . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 143' ' ' VAL . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.423 ' CE2' HD22 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.422 ' NH2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.405 ' N ' ' HE1' ' A' ' 21' ' ' MET . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' SER . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 43' ' ' PHE . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.427 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -59.78 -35.74 75.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -67.92 -23.6 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 70.81 -62.57 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.91 70.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 78.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.7 t -125.28 5.19 7.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.605 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 56.16 44.96 24.24 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.94 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.14 147.74 32.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 19.1 tp 59.25 64.42 3.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 3' ' ' LEU . 23.7 Cg_exo -63.95 146.46 91.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.614 2.209 . . . . 0.0 112.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -119.79 -59.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.44 123.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -148.5 109.67 4.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.76 172.75 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.11 -69.71 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 -162.31 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -92.43 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 49.34 38.98 15.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.223 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 16' ' ' ILE . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 149' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 2.9 mp0 -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 39' ' ' PRO . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 116' ' ' SER . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 37.1 t-80 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 58' ' ' HIS . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 117' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.425 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 113' ' ' TYR . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 141' ' ' TRP . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD22 ' A' ' 131' ' ' LEU . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.407 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.442 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 155' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.444 ' N ' HD11 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -71.88 -35.78 69.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -27.76 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.01 170.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.81 -35.44 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 -173.93 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.5 t -118.0 3.85 12.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 111.437 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 54.76 46.07 25.37 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.956 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.68 131.36 35.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -159.89 -65.35 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 3' ' ' LEU . 19.6 Cg_endo -60.1 122.84 12.02 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.427 2.085 . . . . 0.0 112.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -108.07 -55.39 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.78 34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -155.35 83.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -177.31 102.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.7 34.56 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.88 -177.66 43.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -96.72 -9.18 29.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.539 0.209 . . . . 0.0 111.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -46.29 102.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 11' ' ' ASN . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' CG ' ' A' ' 85' ' ' PHE . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.422 HD23 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.418 ' OG ' ' CH2' ' A' ' 141' ' ' TRP . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 85' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.436 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.436 HD12 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.432 ' CE2' HD22 ' A' ' 131' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.447 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.81 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -56.49 -47.51 79.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.797 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.13 46.35 3.71 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.427 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -40.07 57.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -97.26 175.39 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 26.1 t -130.58 6.04 4.75 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.667 0.746 . . . . 0.0 111.643 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 59.27 43.23 17.16 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.907 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.882 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.72 144.63 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.29 102.85 35.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.59 116.81 2.53 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.496 2.131 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 60.75 100.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -161.88 136.96 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -110.1 -31.75 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -66.32 112.71 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.32 -30.49 23.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.44 154.07 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -108.91 -36.71 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.046 0.45 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.3 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.7 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 68' ' ' PHE . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 107' ' ' ILE . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 106' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.402 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 113' ' ' TYR . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE2' HD23 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 145' ' ' ARG . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.554 ' CD2' ' HB3' ' A' ' 43' ' ' PHE . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.434 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.66 -39.95 71.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -32.65 68.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.92 135.57 41.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.76 160.46 40.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.74 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.39 163.2 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.49 ' OG ' ' HD3' ' A' ' 165' ' ' LYS . 7.5 t -121.7 -123.54 0.27 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.49 ' HD3' ' OG ' ' A' ' 164' ' ' SER . 0.0 OUTLIER -112.79 38.21 2.86 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.845 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.32 162.2 27.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 112.19 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.174 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.94 37.13 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.53 -171.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -105.16 -49.1 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 51.94 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.05 86.99 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -147.78 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.361 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -110.55 -34.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 46.14 33.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 16' ' ' ILE . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.549 ' HB3' HD23 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG13 ' CE1' ' A' ' 43' ' ' PHE . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' HB2' ' A' ' 155' ' ' SER . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 124' ' ' PHE . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 87' ' ' ILE . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 85' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 117' ' ' ILE . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' CG ' ' A' ' 39' ' ' PRO . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CE2' HD11 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.419 ' CE3' HD22 ' A' ' 131' ' ' LEU . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.626 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.452 ' N ' HD13 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 -55.48 -38.08 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -43.97 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 162.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.22 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 154.14 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 116.54 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 121.598 0.713 . . . . 0.0 109.469 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 35.59 2.63 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.711 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.68 133.93 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -178.37 -52.65 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HD3' ' CB ' ' A' ' 3' ' ' LEU . 13.3 Cg_exo -69.55 -164.82 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.606 2.204 . . . . 0.0 112.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -109.17 -31.29 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 p -130.08 149.32 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -88.2 -29.36 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.57 87.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.78 94.22 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.35 159.62 51.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -80.09 -78.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.974 0.416 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.86 36.43 27.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.666 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' HD22 ' A' ' 158' ' ' LEU . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 49' ' ' GLN . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 73' ' ' SER . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB3' ' CH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 17' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 113' ' ' TYR . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.473 HD11 HG22 ' A' ' 117' ' ' ILE . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CD1' ' CG ' ' A' ' 63' ' ' GLN . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 141' ' ' TRP . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.436 ' CH2' ' HB3' ' A' ' 73' ' ' SER . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.507 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.432 ' CD1' HG23 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -50.15 35.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -72.16 -28.05 62.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.966 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 158' ' ' LEU . 4.2 mtt180 -88.63 98.56 11.74 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 111.096 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.9 33.98 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 -71.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.6 t -111.37 6.28 20.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 111.496 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 63.29 39.75 9.26 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.847 0.356 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -92.44 107.81 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -95.81 -64.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.262 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 3' ' ' LEU . 73.9 Cg_endo -75.48 -44.85 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.322 2.015 . . . . 0.0 112.378 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.06 80.73 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -98.43 29.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 6' ' ' THR . 42.4 m-70 -157.92 173.35 16.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -148.01 164.78 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.74 35.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.21 158.4 25.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -108.19 165.03 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 61.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' CG ' ' CD1' ' A' ' 158' ' ' LEU . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' CB ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 43' ' ' PHE . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 61' ' ' ILE . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 107' ' ' ILE . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.405 ' N ' HG12 ' A' ' 106' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.436 HG22 HD12 ' A' ' 117' ' ' ILE . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.439 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.545 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 43' ' ' PHE . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.48 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.82 -45.22 63.84 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -24.7 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.229 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 116.51 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.306 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.1 mp -148.08 -70.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.1 mttm 61.11 -96.96 0.06 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.259 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 75.6 m -104.1 -120.42 0.2 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.455 0.645 . . . . 0.0 110.574 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 72.17 39.87 0.75 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.96 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.07 135.68 43.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.41 147.34 0.96 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.26 124.75 10.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.512 2.141 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -83.95 163.28 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -89.2 -49.47 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -171.93 148.88 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -153.36 102.93 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.15 -39.54 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.49 -142.83 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.71 171.96 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 -174.67 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 148' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.584 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.497 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 43' ' ' PHE . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 70' ' ' THR . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' OG ' ' CH2' ' A' ' 141' ' ' TRP . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 113' ' ' TYR . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 117' ' ' ILE . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.487 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 141' ' ' TRP . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.425 ' CE2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.421 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.475 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.655 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.08 -45.18 79.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 62.53 -82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.11 40.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.877 0.37 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -114.86 85.79 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.8 t -116.77 6.58 13.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.636 0.732 . . . . 0.0 111.435 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp 63.8 39.75 8.15 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.884 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.75 0.31 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -73.37 121.24 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 mp -113.97 143.2 29.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.66 91.52 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.562 2.175 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 31.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -115.27 168.05 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -106.68 156.93 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -26.55 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -56.63 -30.75 63.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.67 -167.44 23.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -98.82 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 52.11 9.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD2' ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 139' ' ' CYS . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.696 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.696 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 158' ' ' LEU . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE1' ' CZ ' ' A' ' 85' ' ' PHE . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD1' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CZ ' ' CE1' ' A' ' 68' ' ' PHE . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 127' ' ' ILE . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD22 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 131' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 57' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -50.66 -40.99 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -71.83 -25.56 62.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 58.42 165.51 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.843 0.354 . . . . 0.0 110.766 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.86 121.64 27.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 -56.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.3 t -107.98 6.38 27.1 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.624 0.726 . . . . 0.0 111.561 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp 63.57 39.81 8.6 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.867 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.65 117.78 23.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.77 91.06 28.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.2 108.68 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.519 2.146 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -127.26 95.53 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 p 53.18 79.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.043 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -59.51 138.85 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -146.28 -175.88 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.07 38.11 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.67 162.97 11.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.554 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.62 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.25 -173.93 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.514 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.754 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.754 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 18.1 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 85' ' ' PHE . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 68' ' ' PHE . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.427 HG22 ' CE1' ' A' ' 113' ' ' TYR . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 107' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 136' ' ' TYR . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.424 ' CE3' HD21 ' A' ' 131' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 140' ' ' ALA . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 155' ' ' SER . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.528 ' N ' HD12 ' A' ' 154' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.41 -43.83 96.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -56.37 -30.46 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.29 126.13 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 2.6 pp -164.38 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -63.41 173.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.7 t -121.17 6.04 10.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 111.568 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 59.88 40.1 19.61 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.867 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.815 0.341 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.95 119.25 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -84.99 -51.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 15.7 Cg_exo -68.21 158.57 56.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.604 2.202 . . . . 0.0 112.191 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.26 99.95 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -77.38 -30.33 53.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 62.61 67.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.97 89.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.27 -176.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.31 118.35 0.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -72.76 163.0 28.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.6 80.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' HD13 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HA ' HG12 ' A' ' 143' ' ' VAL . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 ' CE1' ' A' ' 43' ' ' PHE . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 57' ' ' LEU . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' CE1' ' A' ' 152' ' ' PHE . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD2' HD22 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 85' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 87' ' ' ILE . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.424 ' CD2' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 113' ' ' TYR . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.422 ' CH2' HD22 ' A' ' 67' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 33' ' ' ARG . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.505 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' SER . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 155' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 151' ' ' SER . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.62 -36.2 78.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -57.83 -23.68 53.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 62.7 144.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.06 179.6 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -141.31 -173.11 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.5 t -102.31 2.04 36.41 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.705 0.764 . . . . 0.0 111.273 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 53.88 46.93 24.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.989 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.778 0.323 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.94 141.77 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.74 89.45 3.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 142.65 51.16 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.166 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -152.98 -49.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.54 -67.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 93.31 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 31.26 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.62 -45.62 9.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.49 115.17 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -83.33 171.01 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -137.34 -45.83 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 85' ' ' PHE . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG2' HG12 ' A' ' 148' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.791 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 39' ' ' PRO . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 73' ' ' SER . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 68' ' ' PHE . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 69' ' ' SER . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 85' ' ' PHE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 117' ' ' ILE . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 37' ' ' GLU . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 150' ' ' ARG . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -48.6 -36.78 16.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.29 -30.18 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 58.34 36.94 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 pp 42.76 -167.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.511 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -91.19 119.58 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.6 t -123.41 5.05 9.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.538 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 54.96 45.69 25.91 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.96 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.943 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.791 0.329 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 14' ' ' ALA . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 148' ' ' ILE . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 ' HG3' ' A' ' 142' ' ' GLU . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 30' ' ' LEU . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.894 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.695 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.889 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.941 ' HB3' HD22 ' A' ' 154' ' ' LEU . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.735 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 96' ' ' LEU . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.934 ' HG2' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.676 HG23 HD22 ' A' ' 89' ' ' LEU . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' A' ' 70' ' ' THR . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 82' ' ' LEU . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.636 HG23 ' OD1' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 82' ' ' LEU . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.576 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 17' ' ' LEU . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD22 HG23 ' A' ' 61' ' ' ILE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.705 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.0 tp-100 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 54' ' ' ILE . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HG21 ' A' ' 107' ' ' ILE . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HG13 ' A' ' 107' ' ' ILE . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.807 HG13 HG13 ' A' ' 106' ' ' VAL . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.497 ' N ' HD12 ' A' ' 111' ' ' LEU . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.934 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.694 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.771 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.889 HD11 ' HA ' ' A' ' 37' ' ' GLU . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.597 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.631 ' HG3' HG21 ' A' ' 24' ' ' ILE . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.814 HG21 HG21 ' A' ' 127' ' ' ILE . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.63 HH11 HD21 ' A' ' 77' ' ' LEU . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 18' ' ' LEU . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.489 ' HE2' HE21 ' A' ' 92' ' ' GLN . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.714 ' H ' HD12 ' A' ' 154' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.735 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD22 ' SD ' ' A' ' 149' ' ' MET . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD13 ' A' ' 81' ' ' LEU . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CA ' ' A' ' 149' ' ' MET . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.428 ' HE2' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.886 ' O ' HD13 ' A' ' 30' ' ' LEU . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.835 ' HA ' HD11 ' A' ' 127' ' ' ILE . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' ' 154' ' ' LEU . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.9 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.922 ' HA ' HG21 ' A' ' 106' ' ' VAL . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 155' ' ' SER . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CB ' HD13 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG3' HG23 ' A' ' 117' ' ' ILE . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.442 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 HD22 ' A' ' 89' ' ' LEU . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.688 ' HA ' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 89' ' ' LEU . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 82' ' ' LEU . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.748 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 87' ' ' ILE . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 85' ' ' PHE . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.913 HG13 HG21 ' A' ' 107' ' ' ILE . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.732 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.922 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.913 HG21 HG13 ' A' ' 100' ' ' VAL . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.78 ' OH ' HG23 ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' HG3' ' A' ' 59' ' ' GLU . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 60' ' ' MET . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 127' ' ' ILE . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 144' ' ' VAL . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.589 ' SD ' HD22 ' A' ' 15' ' ' LEU . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 155' ' ' SER . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.982 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 152' ' ' PHE . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 81' ' ' LEU . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 149' ' ' MET . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.742 ' O ' HD12 ' A' ' 30' ' ' LEU . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 29' ' ' CYS . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.748 ' O ' HG11 ' A' ' 143' ' ' VAL . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 147' ' ' GLU . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.909 ' HA ' HD11 ' A' ' 127' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.996 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.712 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.93 ' O ' HD11 ' A' ' 158' ' ' LEU . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.986 ' CG ' HD12 ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 1.2 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.694 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 96' ' ' LEU . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' CA ' HD23 ' A' ' 96' ' ' LEU . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.685 ' HA ' HG11 ' A' ' 120' ' ' VAL . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 89' ' ' LEU . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 82' ' ' LEU . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 82' ' ' LEU . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.678 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 85' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 57' ' ' LEU . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.788 HG22 HD13 ' A' ' 107' ' ' ILE . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.872 HG13 HG13 ' A' ' 107' ' ' ILE . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 106' ' ' VAL . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 111' ' ' LEU . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.533 ' N ' HD12 ' A' ' 111' ' ' LEU . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.475 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 60' ' ' MET . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 145' ' ' ARG . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.748 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.647 HG11 HG23 ' A' ' 127' ' ' ILE . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 144' ' ' VAL . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 35' ' ' ASP . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.758 ' HB2' HD23 ' A' ' 18' ' ' LEU . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.996 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.553 ' HB2' HD21 ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HZ ' ' A' ' 152' ' ' PHE . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 149' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 29' ' ' CYS . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' HG11 ' A' ' 143' ' ' VAL . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.829 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.803 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.803 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.61 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.721 HG21 ' HB3' ' A' ' 99' ' ' CYS . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 155' ' ' SER . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HA ' HD13 ' A' ' 96' ' ' LEU . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 117' ' ' ILE . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.47 ' HA ' HG11 ' A' ' 120' ' ' VAL . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 93' ' ' LEU . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.487 HG22 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.914 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.655 ' HB3' HD11 ' A' ' 82' ' ' LEU . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 85' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' HIS . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.721 ' HB3' HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.965 HG13 HG21 ' A' ' 107' ' ' ILE . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 107' ' ' ILE . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.965 HG21 HG13 ' A' ' 100' ' ' VAL . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.411 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.47 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.914 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.829 HD11 ' CB ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 24' ' ' ILE . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 139' ' ' CYS . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.724 HG11 HG23 ' A' ' 127' ' ' ILE . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.504 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.629 ' HZ ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 155' ' ' SER . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.785 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 152' ' ' PHE . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 21' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.676 ' HE1' HD23 ' A' ' 18' ' ' LEU . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 30' ' ' LEU . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.83 ' O ' HG11 ' A' ' 143' ' ' VAL . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.662 ' CB ' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 56' ' ' VAL . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 158' ' ' LEU . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' HD11 ' A' ' 107' ' ' ILE . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 42' ' ' GLU . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 155' ' ' SER . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.846 ' CB ' HD13 ' A' ' 96' ' ' LEU . 85.3 t60 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.848 ' HG2' HG23 ' A' ' 117' ' ' ILE . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.677 ' HA ' HG11 ' A' ' 120' ' ' VAL . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' A' ' 93' ' ' LEU . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 82' ' ' LEU . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.93 ' CD2' HD21 ' A' ' 17' ' ' LEU . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 96' ' ' LEU . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' A' ' 106' ' ' VAL . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 51' ' ' ALA . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 106' ' ' VAL . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.848 HG23 ' HG2' ' A' ' 59' ' ' GLU . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 60' ' ' MET . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' CD ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 ' CB ' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.436 ' HA ' HG22 ' A' ' 144' ' ' VAL . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.61 HG11 HG23 ' A' ' 127' ' ' ILE . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.516 ' N ' HG23 ' A' ' 144' ' ' VAL . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 144' ' ' VAL . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 154' ' ' LEU . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.818 HD22 ' SD ' ' A' ' 149' ' ' MET . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 29' ' ' CYS . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.774 ' O ' HG11 ' A' ' 143' ' ' VAL . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' HG21 ' A' ' 56' ' ' VAL . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.955 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.617 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 106' ' ' VAL . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.666 ' HB1' ' CE2' ' A' ' 43' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 99' ' ' CYS . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.667 HG22 ' OG ' ' A' ' 116' ' ' SER . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.955 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.716 HG21 HD12 ' A' ' 93' ' ' LEU . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CA ' HD13 ' A' ' 89' ' ' LEU . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HD21 ' A' ' 82' ' ' LEU . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.813 HD23 HD12 ' A' ' 81' ' ' LEU . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.813 HD12 HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.456 ' CG ' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 65' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 54' ' ' ILE . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.668 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG13 HG12 ' A' ' 107' ' ' ILE . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 104' ' ' VAL . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 52' ' ' GLN . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.499 HG12 HG13 ' A' ' 100' ' ' VAL . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.667 ' OG ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.812 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.452 ' HB2' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.869 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.519 ' HG3' HG21 ' A' ' 24' ' ' ILE . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.652 HG11 HG23 ' A' ' 127' ' ' ILE . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.453 ' N ' HG23 ' A' ' 144' ' ' VAL . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.818 ' SD ' HD22 ' A' ' 15' ' ' LEU . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.917 ' HB3' HD11 ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 50' ' ' LYS . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.87 HD21 ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.881 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.701 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 30' ' ' LEU . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 29' ' ' CYS . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 143' ' ' VAL . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' HD11 ' A' ' 127' ' ' ILE . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.755 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.555 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.814 ' HA ' HD13 ' A' ' 96' ' ' LEU . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' HD13 ' A' ' 117' ' ' ILE . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.548 ' HA ' HG11 ' A' ' 120' ' ' VAL . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 89' ' ' LEU . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 87' ' ' ILE . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.87 ' CD2' HD21 ' A' ' 17' ' ' LEU . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 85' ' ' PHE . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 ' HA ' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.55 ' HB2' HG21 ' A' ' 54' ' ' ILE . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.836 ' HA ' HD13 ' A' ' 107' ' ' ILE . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.492 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' VAL . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.786 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.862 HG21 HG21 ' A' ' 144' ' ' VAL . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HB2' ' HG2' ' A' ' 134' ' ' LYS . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.453 ' CE3' HD21 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 24' ' ' ILE . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 32' ' ' ASP . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 127' ' ' ILE . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.704 ' HB ' HD11 ' A' ' 18' ' ' LEU . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.485 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 157' ' ' ASN . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 155' ' ' SER . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.825 ' N ' HD12 ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 153' ' ' SER . 9.6 p30 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.678 ' O ' HD12 ' A' ' 30' ' ' LEU . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 29' ' ' CYS . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.602 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.876 ' HA ' HD11 ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HB3' HD22 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.758 ' HB3' HD21 ' A' ' 158' ' ' LEU . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.889 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 99' ' ' CYS . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.813 ' HA ' HD13 ' A' ' 96' ' ' LEU . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.698 ' CE ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.698 HD13 ' CE ' ' A' ' 60' ' ' MET . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' HG3' HD21 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' HA ' HD13 ' A' ' 89' ' ' LEU . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.859 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 67' ' ' LEU . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.462 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 82' ' ' LEU . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.881 HD23 HD12 ' A' ' 81' ' ' LEU . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD12 HD23 ' A' ' 77' ' ' LEU . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 74' ' ' SER . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 65' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' HB3' HG21 ' A' ' 61' ' ' ILE . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 58' ' ' HIS . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.475 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 107' ' ' ILE . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.889 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.89 HG23 ' OH ' ' A' ' 113' ' ' TYR . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.89 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.825 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 60' ' ' MET . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.428 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.876 HD11 ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.449 HD23 ' CZ2' ' A' ' 141' ' ' TRP . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.833 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.455 ' HA ' HG22 ' A' ' 144' ' ' VAL . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 24' ' ' ILE . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 32' ' ' ASP . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.75 HG11 HG23 ' A' ' 127' ' ' ILE . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.736 ' O ' HD21 ' A' ' 18' ' ' LEU . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.637 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 156' ' ' ILE . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 45' ' ' ASP . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.734 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.616 ' O ' HG11 ' A' ' 143' ' ' VAL . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' HG21 ' A' ' 56' ' ' VAL . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.863 ' HA ' HG21 ' A' ' 106' ' ' VAL . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 42' ' ' GLU . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.441 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.589 HG23 HD22 ' A' ' 89' ' ' LEU . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.474 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 82' ' ' LEU . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.479 ' HG ' ' HH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 17' ' ' LEU . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 84' ' ' GLU . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 85' ' ' PHE . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 57' ' ' LEU . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.041 HG13 HG21 ' A' ' 107' ' ' ILE . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 106' ' ' VAL . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.041 HG21 HG13 ' A' ' 100' ' ' VAL . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.462 HG22 ' HG2' ' A' ' 39' ' ' PRO . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 140' ' ' ALA . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.755 ' HG3' ' HB2' ' A' ' 140' ' ' ALA . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 24' ' ' ILE . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.755 ' HB2' ' HG3' ' A' ' 134' ' ' LYS . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.4 ' OE1' HG21 ' A' ' 24' ' ' ILE . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.871 HG11 HG23 ' A' ' 127' ' ' ILE . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 144' ' ' VAL . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 158' ' ' LEU . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.71 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 142' ' ' GLU . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.591 ' O ' HD12 ' A' ' 30' ' ' LEU . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 29' ' ' CYS . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 143' ' ' VAL . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.907 ' HA ' HD11 ' A' ' 127' ' ' ILE . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB3' HD22 ' A' ' 154' ' ' LEU . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.784 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.784 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 99' ' ' CYS . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.804 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 93' ' ' LEU . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' CE2' ' A' ' 85' ' ' PHE . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 82' ' ' LEU . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.691 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 14' ' ' ALA . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD21 ' HE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.416 HD12 ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 95' ' ' ASP . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.594 ' HB2' HG21 ' A' ' 54' ' ' ILE . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.075 HG13 HG21 ' A' ' 107' ' ' ILE . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 52' ' ' GLN . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.075 HG21 HG13 ' A' ' 100' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.823 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.804 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.42 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB2' HD23 ' A' ' 118' ' ' LEU . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.907 HD11 ' HA ' ' A' ' 37' ' ' GLU . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 140' ' ' ALA . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD23 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 33' ' ' ARG . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.744 HG21 ' CG2' ' A' ' 127' ' ' ILE . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 148' ' ' ILE . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.57 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.968 HD12 ' N ' ' A' ' 155' ' ' SER . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.968 ' N ' HD12 ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.649 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 149' ' ' MET . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 HD13 ' A' ' 81' ' ' LEU . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' SER . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' C ' HD22 ' A' ' 30' ' ' LEU . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG11 ' A' ' 143' ' ' VAL . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.656 ' CA ' HD11 ' A' ' 127' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.718 HG23 ' HB3' ' A' ' 96' ' ' LEU . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 120' ' ' VAL . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 155' ' ' SER . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' HG23 ' A' ' 117' ' ' ILE . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.517 ' HA ' HG11 ' A' ' 120' ' ' VAL . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.557 ' HB ' HD22 ' A' ' 89' ' ' LEU . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.765 ' HA ' HD13 ' A' ' 89' ' ' LEU . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CB ' ' A' ' 73' ' ' SER . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' HD21 ' A' ' 82' ' ' LEU . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.601 ' CB ' HD23 ' A' ' 67' ' ' LEU . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 145' ' ' ARG . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD11 ' OH ' ' A' ' 86' ' ' TYR . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.765 HD13 ' HA ' ' A' ' 65' ' ' PHE . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.718 ' HB3' HG23 ' A' ' 54' ' ' ILE . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 107' ' ' ILE . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' ILE . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 106' ' ' VAL . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.462 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 60' ' ' MET . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.578 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.676 HG23 HG11 ' A' ' 144' ' ' VAL . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.482 ' CD2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.676 HG11 HG23 ' A' ' 127' ' ' ILE . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 18' ' ' LEU . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.468 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.646 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.692 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.99 0.424 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.776 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.766 ' HE2' ' HB2' ' A' ' 146' ' ' ALA . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB2' ' A' ' 142' ' ' GLU . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' C ' HD12 ' A' ' 30' ' ' LEU . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.811 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.819 ' HB3' HD22 ' A' ' 154' ' ' LEU . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.698 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.854 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.751 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG3' HD13 ' A' ' 117' ' ' ILE . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 HG22 HD12 ' A' ' 93' ' ' LEU . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.794 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 58' ' ' HIS . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 107' ' ' ILE . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.854 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.814 HG21 HG22 ' A' ' 100' ' ' VAL . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.588 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.811 HD11 ' HA ' ' A' ' 37' ' ' GLU . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.524 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.443 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.773 HG11 HG23 ' A' ' 127' ' ' ILE . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.766 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 18' ' ' LEU . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.669 ' H ' HD12 ' A' ' 154' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.908 ' O ' HD13 ' A' ' 30' ' ' LEU . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.908 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.638 ' O ' HG11 ' A' ' 143' ' ' VAL . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.768 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 159' ' ' GLN . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.971 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.873 ' HA ' HG21 ' A' ' 106' ' ' VAL . 7.4 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 99' ' ' CYS . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG22 ' A' ' 120' ' ' VAL . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 155' ' ' SER . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 117' ' ' ILE . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 93' ' ' LEU . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 77' ' ' LEU . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.629 ' CB ' HG21 ' A' ' 54' ' ' ILE . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.785 ' HA ' HD13 ' A' ' 107' ' ' ILE . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' OE1' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.971 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.785 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.535 ' SD ' HG23 ' A' ' 106' ' ' VAL . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 120' ' ' VAL . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.512 HG22 HG13 ' A' ' 56' ' ' VAL . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.95 HG23 HG11 ' A' ' 144' ' ' VAL . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.485 HD23 ' CE2' ' A' ' 141' ' ' TRP . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 67' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 24' ' ' ILE . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 139' ' ' CYS . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.95 HG11 HG23 ' A' ' 127' ' ' ILE . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' A' ' 148' ' ' ILE . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.768 ' HB2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 38' ' ' PHE . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.582 ' O ' HD21 ' A' ' 57' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 48' ' ' PHE . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 50' ' ' LYS . 1.9 tm0? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.742 0.306 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.826 ' HG3' HD21 ' A' ' 81' ' ' LEU . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.815 ' C ' HD22 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.801 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.681 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' ' 106' ' ' VAL . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 155' ' ' SER . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE3' ' HG2' ' A' ' 37' ' ' GLU . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 89' ' ' LEU . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HG3' HD21 ' A' ' 93' ' ' LEU . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HD13 ' A' ' 82' ' ' LEU . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.826 HD21 ' HG3' ' A' ' 20' ' ' GLN . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 68' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.692 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.436 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 54' ' ' ILE . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 96' ' ' LEU . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 ' H ' ' A' ' 106' ' ' VAL . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.769 ' HB ' ' HB1' ' A' ' 51' ' ' ALA . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.572 HG13 HG13 ' A' ' 106' ' ' VAL . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.641 HG23 ' HG2' ' A' ' 59' ' ' GLU . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.841 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 56' ' ' VAL . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' HD22 ' A' ' 118' ' ' LEU . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.605 ' HE2' HD12 ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.843 ' CG2' HG21 ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.441 HD21 ' CE3' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.441 ' CE3' HD21 ' A' ' 131' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 147' ' ' GLU . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.843 HG21 ' CG2' ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.726 ' HB2' HD21 ' A' ' 57' ' ' LEU . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 159' ' ' GLN . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.426 ' N ' HD12 ' A' ' 158' ' ' LEU . 3.8 pt20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.717 ' HB2' ' CD ' ' A' ' 88' ' ' GLU . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 81' ' ' LEU . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.417 ' HE1' ' HB2' ' A' ' 146' ' ' ALA . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 127' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.969 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.636 ' OE1' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.833 ' HB3' HD23 ' A' ' 154' ' ' LEU . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD21 ' A' ' 158' ' ' LEU . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.818 ' HA ' HG21 ' A' ' 106' ' ' VAL . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 57' ' ' LEU . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.746 HG21 ' CB ' ' A' ' 99' ' ' CYS . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG23 HD22 ' A' ' 89' ' ' LEU . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 89' ' ' LEU . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD2' HD21 ' A' ' 82' ' ' LEU . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.471 ' HG ' ' HZ2' ' A' ' 141' ' ' TRP . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 77' ' ' LEU . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 HD12 ' A' ' 81' ' ' LEU . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 84' ' ' GLU . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.717 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 61' ' ' ILE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 96' ' ' LEU . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 54' ' ' ILE . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.746 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.99 HG13 HG21 ' A' ' 107' ' ' ILE . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.569 ' CG1' HD12 ' A' ' 107' ' ' ILE . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.99 HG21 HG13 ' A' ' 100' ' ' VAL . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.494 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 118' ' ' LEU . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.442 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.624 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.471 ' HZ2' ' HG ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 33' ' ' ARG . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 127' ' ' ILE . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' A' ' 77' ' ' LEU . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 145' ' ' ARG . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 156' ' ' ILE . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.969 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' SER . . . . . 0.837 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 153' ' ' SER . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 158' ' ' LEU . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.91 118.76 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mp -76.0 142.45 72.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.78 -45.89 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.508 2.139 . . . . 0.0 112.363 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.91 82.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER 59.88 -176.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' H ' HG22 ' A' ' 6' ' ' THR . 39.2 m80 -95.01 130.23 41.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -121.86 161.68 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.35 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.01 -176.11 49.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.835 ' HB2' HD13 ' A' ' 156' ' ' ILE . 2.7 t-20 -107.85 -24.66 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' H ' HD12 ' A' ' 15' ' ' LEU . 6.3 mtp180 59.49 20.97 9.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' H ' ' A' ' 12' ' ' ARG . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 14' ' ' ALA . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 148' ' ' ILE . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 ' HG3' ' A' ' 142' ' ' GLU . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 30' ' ' LEU . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.894 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.695 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.889 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.941 ' HB3' HD22 ' A' ' 154' ' ' LEU . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.735 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 96' ' ' LEU . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.934 ' HG2' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.676 HG23 HD22 ' A' ' 89' ' ' LEU . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' A' ' 70' ' ' THR . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 82' ' ' LEU . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.636 HG23 ' OD1' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 82' ' ' LEU . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.576 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 17' ' ' LEU . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD22 HG23 ' A' ' 61' ' ' ILE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.705 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.0 tp-100 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 54' ' ' ILE . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HG21 ' A' ' 107' ' ' ILE . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HG13 ' A' ' 107' ' ' ILE . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.807 HG13 HG13 ' A' ' 106' ' ' VAL . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.497 ' N ' HD12 ' A' ' 111' ' ' LEU . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.934 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.694 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.771 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.889 HD11 ' HA ' ' A' ' 37' ' ' GLU . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.597 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.631 ' HG3' HG21 ' A' ' 24' ' ' ILE . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.814 HG21 HG21 ' A' ' 127' ' ' ILE . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.63 HH11 HD21 ' A' ' 77' ' ' LEU . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 18' ' ' LEU . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.489 ' HE2' HE21 ' A' ' 92' ' ' GLN . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.714 ' H ' HD12 ' A' ' 154' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.835 HD13 ' HB2' ' A' ' 11' ' ' ASN . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.735 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.47 -37.46 17.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -63.13 -25.94 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 62.03 31.56 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.67 104.11 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.7 mttt 63.54 137.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.6 t -121.94 -123.1 0.27 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.512 0.673 . . . . 0.0 110.116 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.49 39.62 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.81 137.03 38.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.4 mp 59.46 86.39 0.16 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.67 81.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.583 2.189 . . . . 0.0 112.271 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 35.13 25.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -91.67 -47.0 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' HD23 ' A' ' 3' ' ' LEU . 2.9 t-80 -82.33 147.11 29.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 p -164.25 31.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -106.71 -66.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.5 168.37 38.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -87.06 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.86 80.57 0.21 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD22 ' SD ' ' A' ' 149' ' ' MET . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD13 ' A' ' 81' ' ' LEU . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CA ' ' A' ' 149' ' ' MET . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.428 ' HE2' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.886 ' O ' HD13 ' A' ' 30' ' ' LEU . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.835 ' HA ' HD11 ' A' ' 127' ' ' ILE . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' ' 154' ' ' LEU . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.9 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.922 ' HA ' HG21 ' A' ' 106' ' ' VAL . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 155' ' ' SER . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CB ' HD13 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG3' HG23 ' A' ' 117' ' ' ILE . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.442 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 HD22 ' A' ' 89' ' ' LEU . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.688 ' HA ' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 89' ' ' LEU . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 82' ' ' LEU . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.748 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 87' ' ' ILE . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 85' ' ' PHE . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.913 HG13 HG21 ' A' ' 107' ' ' ILE . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.732 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.922 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.913 HG21 HG13 ' A' ' 100' ' ' VAL . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.78 ' OH ' HG23 ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' HG3' ' A' ' 59' ' ' GLU . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 60' ' ' MET . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 127' ' ' ILE . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 144' ' ' VAL . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.589 ' SD ' HD22 ' A' ' 15' ' ' LEU . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 155' ' ' SER . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.982 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 -52.77 -52.99 54.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.67 -36.09 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 57.87 19.56 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.3 mp 46.59 40.96 9.18 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 111.406 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.84 28.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.5 t -125.31 6.53 7.75 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp 57.58 39.49 27.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -101.98 128.94 48.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.23 103.75 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.39 -60.32 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.509 2.139 . . . . 0.0 112.403 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.87 162.95 19.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -67.43 154.37 41.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -86.68 91.39 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.19 -41.19 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.64 162.0 25.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.31 -70.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.128 0.49 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.53 28.82 18.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 152' ' ' PHE . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 81' ' ' LEU . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 149' ' ' MET . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.742 ' O ' HD12 ' A' ' 30' ' ' LEU . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 29' ' ' CYS . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.748 ' O ' HG11 ' A' ' 143' ' ' VAL . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 147' ' ' GLU . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.909 ' HA ' HD11 ' A' ' 127' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.996 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.712 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.93 ' O ' HD11 ' A' ' 158' ' ' LEU . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.986 ' CG ' HD12 ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 6.1 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.694 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 96' ' ' LEU . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' CA ' HD23 ' A' ' 96' ' ' LEU . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.685 ' HA ' HG11 ' A' ' 120' ' ' VAL . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 89' ' ' LEU . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 82' ' ' LEU . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 82' ' ' LEU . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.678 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 85' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 57' ' ' LEU . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.788 HG22 HD13 ' A' ' 107' ' ' ILE . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.872 HG13 HG13 ' A' ' 107' ' ' ILE . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 106' ' ' VAL . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 111' ' ' LEU . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.533 ' N ' HD12 ' A' ' 111' ' ' LEU . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.475 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 60' ' ' MET . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 145' ' ' ARG . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.748 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.647 HG11 HG23 ' A' ' 127' ' ' ILE . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 144' ' ' VAL . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 35' ' ' ASP . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.758 ' HB2' HD23 ' A' ' 18' ' ' LEU . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.996 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.553 ' HB2' HD21 ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.88 -35.71 34.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -67.57 -29.56 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 128.58 38.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.88 -68.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.28 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 40.5 t -122.91 -123.41 0.27 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.487 0.66 . . . . 0.0 110.107 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 42.29 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.949 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.47 116.23 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mt -130.24 82.88 64.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 154.2 11.95 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.562 2.175 . . . . 0.0 112.276 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.18 172.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.9 p -76.95 159.52 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -89.19 121.25 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -130.48 162.97 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 10' ' ' GLY . 7.7 tt 59.91 160.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 9' ' ' LEU . . . -141.99 -130.46 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.583 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.51 -110.41 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.081 -0.07 . . . . 0.0 110.908 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 59.23 21.23 9.36 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HZ ' ' A' ' 152' ' ' PHE . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 149' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 29' ' ' CYS . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' HG11 ' A' ' 143' ' ' VAL . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.829 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.803 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.803 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.721 HG21 ' HB3' ' A' ' 99' ' ' CYS . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 155' ' ' SER . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HA ' HD13 ' A' ' 96' ' ' LEU . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 117' ' ' ILE . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.47 ' HA ' HG11 ' A' ' 120' ' ' VAL . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 93' ' ' LEU . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.487 HG22 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.914 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.655 ' HB3' HD11 ' A' ' 82' ' ' LEU . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 85' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' HIS . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.721 ' HB3' HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.965 HG13 HG21 ' A' ' 107' ' ' ILE . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 107' ' ' ILE . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.965 HG21 HG13 ' A' ' 100' ' ' VAL . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.411 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.47 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.914 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.829 HD11 ' CB ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 24' ' ' ILE . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 139' ' ' CYS . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.724 HG11 HG23 ' A' ' 127' ' ' ILE . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.504 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.629 ' HZ ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 155' ' ' SER . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.785 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 152' ' ' PHE . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -59.78 -35.74 75.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -67.92 -23.6 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 162' ' ' LEU . 6.9 ttt180 70.81 -62.57 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER 69.91 70.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 78.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.7 t -125.28 5.19 7.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.605 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 56.16 44.96 24.24 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.94 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.14 147.74 32.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 19.1 tp 59.25 64.42 3.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 3' ' ' LEU . 23.7 Cg_exo -63.95 146.46 91.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.614 2.209 . . . . 0.0 112.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -119.79 -59.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.44 123.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.5 109.67 4.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.76 172.75 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.11 -69.71 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 -162.31 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -92.43 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 49.34 38.98 15.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.223 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 21' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.676 ' HE1' HD23 ' A' ' 18' ' ' LEU . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 30' ' ' LEU . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.83 ' O ' HG11 ' A' ' 143' ' ' VAL . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.662 ' CB ' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 56' ' ' VAL . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 158' ' ' LEU . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' HD11 ' A' ' 107' ' ' ILE . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 42' ' ' GLU . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 155' ' ' SER . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.846 ' CB ' HD13 ' A' ' 96' ' ' LEU . 85.3 t60 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.848 ' HG2' HG23 ' A' ' 117' ' ' ILE . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.677 ' HA ' HG11 ' A' ' 120' ' ' VAL . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' A' ' 93' ' ' LEU . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 82' ' ' LEU . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.93 ' CD2' HD21 ' A' ' 17' ' ' LEU . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 96' ' ' LEU . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' A' ' 106' ' ' VAL . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 51' ' ' ALA . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 106' ' ' VAL . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.848 HG23 ' HG2' ' A' ' 59' ' ' GLU . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 60' ' ' MET . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' CD ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 ' CB ' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.436 ' HA ' HG22 ' A' ' 144' ' ' VAL . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.61 HG11 HG23 ' A' ' 127' ' ' ILE . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.516 ' N ' HG23 ' A' ' 144' ' ' VAL . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 144' ' ' VAL . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 154' ' ' LEU . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -71.88 -35.78 69.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -27.76 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.01 170.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.81 -35.44 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 -173.93 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.5 t -118.0 3.85 12.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 111.437 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 54.76 46.07 25.37 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.956 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.865 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -79.68 131.36 35.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.739 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -159.89 -65.35 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 3' ' ' LEU . 19.6 Cg_endo -60.1 122.84 12.02 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.427 2.085 . . . . 0.0 112.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 6' ' ' THR . 15.0 mt-30 -108.07 -55.39 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -167.78 34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -155.35 83.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -177.31 102.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.7 34.56 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.88 -177.66 43.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.678 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -96.72 -9.18 29.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.539 0.209 . . . . 0.0 111.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -46.29 102.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.818 HD22 ' SD ' ' A' ' 149' ' ' MET . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 29' ' ' CYS . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.774 ' O ' HG11 ' A' ' 143' ' ' VAL . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' HG21 ' A' ' 56' ' ' VAL . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.955 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.617 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 106' ' ' VAL . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.666 ' HB1' ' CE2' ' A' ' 43' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 99' ' ' CYS . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.667 HG22 ' OG ' ' A' ' 116' ' ' SER . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.955 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.716 HG21 HD12 ' A' ' 93' ' ' LEU . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CA ' HD13 ' A' ' 89' ' ' LEU . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HD21 ' A' ' 82' ' ' LEU . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.813 HD23 HD12 ' A' ' 81' ' ' LEU . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.813 HD12 HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.456 ' CG ' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 65' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 54' ' ' ILE . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.668 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG13 HG12 ' A' ' 107' ' ' ILE . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 104' ' ' VAL . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 52' ' ' GLN . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.499 HG12 HG13 ' A' ' 100' ' ' VAL . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.667 ' OG ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.812 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.452 ' HB2' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.869 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.519 ' HG3' HG21 ' A' ' 24' ' ' ILE . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.652 HG11 HG23 ' A' ' 127' ' ' ILE . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.453 ' N ' HG23 ' A' ' 144' ' ' VAL . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.818 ' SD ' HD22 ' A' ' 15' ' ' LEU . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.917 ' HB3' HD11 ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.524 HD11 ' OD1' ' A' ' 11' ' ' ASN . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 50' ' ' LYS . 67.8 mt-30 -62.81 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -56.49 -47.51 79.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.797 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.13 46.35 3.71 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.427 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -40.07 57.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -97.26 175.39 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 26.1 t -130.58 6.04 4.75 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.667 0.746 . . . . 0.0 111.643 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 59.27 43.23 17.16 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.907 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.882 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.72 144.63 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.29 102.85 35.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.59 116.81 2.53 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.496 2.131 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 60.75 100.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -161.88 136.96 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -110.1 -31.75 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -66.32 112.71 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 9' ' ' LEU . 5.4 tp -85.32 -30.49 23.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 156' ' ' ILE . . . -62.44 154.07 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -108.91 -36.71 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.046 0.45 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.3 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.87 HD21 ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.881 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.701 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 30' ' ' LEU . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 29' ' ' CYS . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 143' ' ' VAL . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' HD11 ' A' ' 127' ' ' ILE . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.755 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.555 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.814 ' HA ' HD13 ' A' ' 96' ' ' LEU . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' HD13 ' A' ' 117' ' ' ILE . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.548 ' HA ' HG11 ' A' ' 120' ' ' VAL . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 89' ' ' LEU . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 87' ' ' ILE . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.87 ' CD2' HD21 ' A' ' 17' ' ' LEU . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 85' ' ' PHE . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 ' HA ' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.55 ' HB2' HG21 ' A' ' 54' ' ' ILE . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.836 ' HA ' HD13 ' A' ' 107' ' ' ILE . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.492 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' VAL . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.786 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.862 HG21 HG21 ' A' ' 144' ' ' VAL . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HB2' ' HG2' ' A' ' 134' ' ' LYS . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.453 ' CE3' HD21 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 24' ' ' ILE . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 32' ' ' ASP . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 127' ' ' ILE . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.704 ' HB ' HD11 ' A' ' 18' ' ' LEU . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.485 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 157' ' ' ASN . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 155' ' ' SER . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.825 ' N ' HD12 ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.457 HD12 ' HA2' ' A' ' 10' ' ' GLY . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 153' ' ' SER . 9.6 p30 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.66 -39.95 71.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -32.65 68.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.92 135.57 41.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.76 160.46 40.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.74 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.39 163.2 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' ' HD3' ' A' ' 165' ' ' LYS . 7.5 t -121.7 -123.54 0.27 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.488 ' HD3' ' OG ' ' A' ' 164' ' ' SER . 0.0 OUTLIER -112.79 38.21 2.86 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.845 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.32 162.2 27.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 112.19 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.174 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.94 37.13 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER 61.53 -171.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' H ' HG22 ' A' ' 6' ' ' THR . 42.8 p-80 -105.16 -49.1 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 51.94 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.05 86.99 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -147.78 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.361 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.513 ' HB2' HD13 ' A' ' 156' ' ' ILE . 52.1 t30 -110.55 -34.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 46.14 33.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.678 ' O ' HD12 ' A' ' 30' ' ' LEU . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 29' ' ' CYS . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.602 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.876 ' HA ' HD11 ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HB3' HD22 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.758 ' HB3' HD21 ' A' ' 158' ' ' LEU . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.889 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 99' ' ' CYS . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.813 ' HA ' HD13 ' A' ' 96' ' ' LEU . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.698 ' CE ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.698 HD13 ' CE ' ' A' ' 60' ' ' MET . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' HG3' HD21 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' HA ' HD13 ' A' ' 89' ' ' LEU . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.859 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 67' ' ' LEU . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.462 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 82' ' ' LEU . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.881 HD23 HD12 ' A' ' 81' ' ' LEU . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD12 HD23 ' A' ' 77' ' ' LEU . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 74' ' ' SER . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 65' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' HB3' HG21 ' A' ' 61' ' ' ILE . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 58' ' ' HIS . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.475 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 107' ' ' ILE . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.889 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.89 HG23 ' OH ' ' A' ' 113' ' ' TYR . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.89 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.825 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 60' ' ' MET . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.428 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.876 HD11 ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.449 HD23 ' CZ2' ' A' ' 141' ' ' TRP . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.833 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.455 ' HA ' HG22 ' A' ' 144' ' ' VAL . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 24' ' ' ILE . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 32' ' ' ASP . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.75 HG11 HG23 ' A' ' 127' ' ' ILE . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.736 ' O ' HD21 ' A' ' 18' ' ' LEU . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.637 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 11' ' ' ASN . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 45' ' ' ASP . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 -55.48 -38.08 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -43.97 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.772 ' HD2' HD12 ' A' ' 162' ' ' LEU . 0.0 OUTLIER 60.01 162.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.772 HD12 ' HD2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 60.22 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 154.14 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 116.54 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 121.598 0.713 . . . . 0.0 109.469 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 35.59 2.63 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.711 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.68 133.93 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -178.37 -52.65 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 3' ' ' LEU . 13.3 Cg_exo -69.55 -164.82 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.606 2.204 . . . . 0.0 112.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -109.17 -31.29 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 p -130.08 149.32 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -88.2 -29.36 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.57 87.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.78 94.22 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.35 159.62 51.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -80.09 -78.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.974 0.416 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER 55.86 36.43 27.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.095 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.734 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.616 ' O ' HG11 ' A' ' 143' ' ' VAL . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' HG21 ' A' ' 56' ' ' VAL . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.863 ' HA ' HG21 ' A' ' 106' ' ' VAL . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 42' ' ' GLU . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.441 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.589 HG23 HD22 ' A' ' 89' ' ' LEU . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.474 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 82' ' ' LEU . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.479 ' HG ' ' HH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 17' ' ' LEU . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 84' ' ' GLU . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 85' ' ' PHE . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 57' ' ' LEU . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.041 HG13 HG21 ' A' ' 107' ' ' ILE . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 106' ' ' VAL . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.041 HG21 HG13 ' A' ' 100' ' ' VAL . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.462 HG22 ' HG2' ' A' ' 39' ' ' PRO . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 140' ' ' ALA . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.755 ' HG3' ' HB2' ' A' ' 140' ' ' ALA . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 24' ' ' ILE . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.755 ' HB2' ' HG3' ' A' ' 134' ' ' LYS . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' OE1' HG21 ' A' ' 24' ' ' ILE . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.871 HG11 HG23 ' A' ' 127' ' ' ILE . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 144' ' ' VAL . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 158' ' ' LEU . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.71 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -50.15 35.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -72.16 -28.05 62.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.966 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 158' ' ' LEU . 4.2 mtt180 -88.63 98.56 11.74 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 111.096 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.9 33.98 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 -71.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.6 t -111.37 6.28 20.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 111.496 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 63.29 39.75 9.26 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.847 0.356 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -92.44 107.81 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -95.81 -64.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.262 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 3' ' ' LEU . 73.9 Cg_endo -75.48 -44.85 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.322 2.015 . . . . 0.0 112.378 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.06 80.73 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.43 29.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -157.92 173.35 16.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -148.01 164.78 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.74 35.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.21 158.4 25.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.728 ' HB2' HD13 ' A' ' 156' ' ' ILE . 10.1 t-20 -108.19 165.03 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 61.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 142' ' ' GLU . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.591 ' O ' HD12 ' A' ' 30' ' ' LEU . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 29' ' ' CYS . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 143' ' ' VAL . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.907 ' HA ' HD11 ' A' ' 127' ' ' ILE . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB3' HD22 ' A' ' 154' ' ' LEU . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.784 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.784 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 99' ' ' CYS . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.804 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 93' ' ' LEU . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' CE2' ' A' ' 85' ' ' PHE . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 82' ' ' LEU . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 14' ' ' ALA . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD21 ' HE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.416 HD12 ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 95' ' ' ASP . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.594 ' HB2' HG21 ' A' ' 54' ' ' ILE . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.075 HG13 HG21 ' A' ' 107' ' ' ILE . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 52' ' ' GLN . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.075 HG21 HG13 ' A' ' 100' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.823 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.804 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.42 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB2' HD23 ' A' ' 118' ' ' LEU . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.907 HD11 ' HA ' ' A' ' 37' ' ' GLU . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 140' ' ' ALA . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD23 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 33' ' ' ARG . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.744 HG21 ' CG2' ' A' ' 127' ' ' ILE . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 148' ' ' ILE . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.57 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.968 HD12 ' N ' ' A' ' 155' ' ' SER . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.968 ' N ' HD12 ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 11' ' ' ASN . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.713 ' O ' HD11 ' A' ' 162' ' ' LEU . 2.7 pt20 -51.82 -45.22 63.84 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -24.7 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.229 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 116.51 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.306 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 159' ' ' GLN . 4.1 mp -148.08 -70.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.1 mttm 61.11 -96.96 0.06 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.259 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 75.6 m -104.1 -120.42 0.2 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.455 0.645 . . . . 0.0 110.574 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 72.17 39.87 0.75 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.96 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.07 135.68 43.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.41 147.34 0.96 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.26 124.75 10.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.512 2.141 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -83.95 163.28 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -89.2 -49.47 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -171.93 148.88 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -153.36 102.93 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.15 -39.54 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.49 -142.83 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.423 HD22 HD23 ' A' ' 15' ' ' LEU . 40.1 t30 -102.71 171.96 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 -174.67 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 149' ' ' MET . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 HD13 ' A' ' 81' ' ' LEU . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' SER . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' C ' HD22 ' A' ' 30' ' ' LEU . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG11 ' A' ' 143' ' ' VAL . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.656 ' CA ' HD11 ' A' ' 127' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.718 HG23 ' HB3' ' A' ' 96' ' ' LEU . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 120' ' ' VAL . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 155' ' ' SER . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' HG23 ' A' ' 117' ' ' ILE . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.517 ' HA ' HG11 ' A' ' 120' ' ' VAL . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.557 ' HB ' HD22 ' A' ' 89' ' ' LEU . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.765 ' HA ' HD13 ' A' ' 89' ' ' LEU . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CB ' ' A' ' 73' ' ' SER . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' HD21 ' A' ' 82' ' ' LEU . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.601 ' CB ' HD23 ' A' ' 67' ' ' LEU . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 145' ' ' ARG . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD11 ' OH ' ' A' ' 86' ' ' TYR . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.765 HD13 ' HA ' ' A' ' 65' ' ' PHE . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.718 ' HB3' HG23 ' A' ' 54' ' ' ILE . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 107' ' ' ILE . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' ILE . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 106' ' ' VAL . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.462 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 60' ' ' MET . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.578 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.676 HG23 HG11 ' A' ' 144' ' ' VAL . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.482 ' CD2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.676 HG11 HG23 ' A' ' 127' ' ' ILE . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 18' ' ' LEU . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.468 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.646 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.692 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.08 -45.18 79.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 62.53 -82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.11 40.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.877 0.37 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -114.86 85.79 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.8 t -116.77 6.58 13.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.636 0.732 . . . . 0.0 111.435 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp 63.8 39.75 8.15 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.884 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.75 0.31 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -73.37 121.24 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 mp -113.97 143.2 29.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.66 91.52 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.562 2.175 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 31.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -115.27 168.05 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -106.68 156.93 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -26.55 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -56.63 -30.75 63.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.67 -167.44 23.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -98.82 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 52.11 9.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.766 ' HE2' ' HB2' ' A' ' 146' ' ' ALA . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB2' ' A' ' 142' ' ' GLU . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.603 ' C ' HD12 ' A' ' 30' ' ' LEU . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.811 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.819 ' HB3' HD22 ' A' ' 154' ' ' LEU . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.698 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.854 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.751 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG3' HD13 ' A' ' 117' ' ' ILE . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 HG22 HD12 ' A' ' 93' ' ' LEU . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.794 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 58' ' ' HIS . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 107' ' ' ILE . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.854 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.814 HG21 HG22 ' A' ' 100' ' ' VAL . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.588 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.811 HD11 ' HA ' ' A' ' 37' ' ' GLU . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.524 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.443 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.773 HG11 HG23 ' A' ' 127' ' ' ILE . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.766 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 18' ' ' LEU . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.669 ' H ' HD12 ' A' ' 154' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -50.66 -40.99 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -71.83 -25.56 62.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 58.42 165.51 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.843 0.354 . . . . 0.0 110.766 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.86 121.64 27.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 -56.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.3 t -107.98 6.38 27.1 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.624 0.726 . . . . 0.0 111.561 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp 63.57 39.81 8.6 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.867 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.65 117.78 23.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.77 91.06 28.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.2 108.68 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.519 2.146 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -127.26 95.53 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 p 53.18 79.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.043 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -59.51 138.85 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -146.28 -175.88 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.07 38.11 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.67 162.97 11.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.554 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 15' ' ' LEU . 16.7 t30 -79.62 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.25 -173.93 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 11' ' ' ASN . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.908 ' O ' HD13 ' A' ' 30' ' ' LEU . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.908 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.638 ' O ' HG11 ' A' ' 143' ' ' VAL . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.768 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 159' ' ' GLN . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.971 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.873 ' HA ' HG21 ' A' ' 106' ' ' VAL . 7.4 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 99' ' ' CYS . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG22 ' A' ' 120' ' ' VAL . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 155' ' ' SER . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 117' ' ' ILE . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 93' ' ' LEU . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 77' ' ' LEU . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.629 ' CB ' HG21 ' A' ' 54' ' ' ILE . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.785 ' HA ' HD13 ' A' ' 107' ' ' ILE . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' OE1' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.971 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.785 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.535 ' SD ' HG23 ' A' ' 106' ' ' VAL . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 120' ' ' VAL . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.512 HG22 HG13 ' A' ' 56' ' ' VAL . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.95 HG23 HG11 ' A' ' 144' ' ' VAL . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.485 HD23 ' CE2' ' A' ' 141' ' ' TRP . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 67' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 24' ' ' ILE . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 139' ' ' CYS . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.95 HG11 HG23 ' A' ' 127' ' ' ILE . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' A' ' 148' ' ' ILE . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.768 ' HB2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 38' ' ' PHE . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.582 ' O ' HD21 ' A' ' 57' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 48' ' ' PHE . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 50' ' ' LYS . 1.9 tm0? -60.41 -43.83 96.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -56.37 -30.46 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.29 126.13 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 163' ' ' LYS . 2.6 pp -164.38 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 162' ' ' LEU . 15.0 mtpt -63.41 173.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.7 t -121.17 6.04 10.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 111.568 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 59.88 40.1 19.61 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.867 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.815 0.341 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.95 119.25 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -84.99 -51.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 15.7 Cg_exo -68.21 158.57 56.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.604 2.202 . . . . 0.0 112.191 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.26 99.95 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -77.38 -30.33 53.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 62.61 67.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.97 89.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 160' ' ' LYS . 6.2 mp -71.27 -176.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.31 118.35 0.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' HB2' HD11 ' A' ' 156' ' ' ILE . 43.4 t30 -72.76 163.0 28.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.6 80.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.826 ' HG3' HD21 ' A' ' 81' ' ' LEU . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.815 ' C ' HD22 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.801 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.681 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' ' 106' ' ' VAL . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 155' ' ' SER . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE3' ' HG2' ' A' ' 37' ' ' GLU . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 89' ' ' LEU . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HG3' HD21 ' A' ' 93' ' ' LEU . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HD13 ' A' ' 82' ' ' LEU . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.826 HD21 ' HG3' ' A' ' 20' ' ' GLN . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 68' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.692 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.436 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 54' ' ' ILE . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 96' ' ' LEU . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 ' H ' ' A' ' 106' ' ' VAL . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.769 ' HB ' ' HB1' ' A' ' 51' ' ' ALA . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.572 HG13 HG13 ' A' ' 106' ' ' VAL . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.641 HG23 ' HG2' ' A' ' 59' ' ' GLU . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.841 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 56' ' ' VAL . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' HD22 ' A' ' 118' ' ' LEU . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.605 ' HE2' HD12 ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.843 ' CG2' HG21 ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD21 ' CE3' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.441 ' CE3' HD21 ' A' ' 131' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 147' ' ' GLU . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.843 HG21 ' CG2' ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.726 ' HB2' HD21 ' A' ' 57' ' ' LEU . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 11' ' ' ASN . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 159' ' ' GLN . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.426 ' N ' HD12 ' A' ' 158' ' ' LEU . 3.8 pt20 -60.62 -36.2 78.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' ' 9' ' ' LEU . 4.4 tttt -57.83 -23.68 53.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 62.7 144.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.06 179.6 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -141.31 -173.11 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.5 t -102.31 2.04 36.41 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.705 0.764 . . . . 0.0 111.273 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 53.88 46.93 24.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.989 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.778 0.323 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.94 141.77 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.74 89.45 3.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 142.65 51.16 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.166 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 39.6 mt-30 -152.98 -49.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -172.54 -67.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 93.31 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 31.26 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.62 -45.62 9.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.49 115.17 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -83.33 171.01 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -137.34 -45.83 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.717 ' HB2' ' CD ' ' A' ' 88' ' ' GLU . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 81' ' ' LEU . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.417 ' HE1' ' HB2' ' A' ' 146' ' ' ALA . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 127' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.969 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.636 ' OE1' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.833 ' HB3' HD23 ' A' ' 154' ' ' LEU . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD21 ' A' ' 158' ' ' LEU . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.818 ' HA ' HG21 ' A' ' 106' ' ' VAL . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 57' ' ' LEU . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.746 HG21 ' CB ' ' A' ' 99' ' ' CYS . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG23 HD22 ' A' ' 89' ' ' LEU . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 89' ' ' LEU . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD2' HD21 ' A' ' 82' ' ' LEU . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.471 ' HG ' ' HZ2' ' A' ' 141' ' ' TRP . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 77' ' ' LEU . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 HD12 ' A' ' 81' ' ' LEU . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 84' ' ' GLU . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.717 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 61' ' ' ILE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 96' ' ' LEU . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 54' ' ' ILE . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.746 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.99 HG13 HG21 ' A' ' 107' ' ' ILE . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.569 ' CG1' HD12 ' A' ' 107' ' ' ILE . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.99 HG21 HG13 ' A' ' 100' ' ' VAL . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.494 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 118' ' ' LEU . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.442 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.624 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.471 ' HZ2' ' HG ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 33' ' ' ARG . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 127' ' ' ILE . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' A' ' 77' ' ' LEU . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 145' ' ' ARG . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 156' ' ' ILE . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.969 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.837 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 153' ' ' SER . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 158' ' ' LEU . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.6 -36.78 16.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.29 -30.18 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 162' ' ' LEU . 15.6 ttt-85 58.34 36.94 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 162' ' ' LEU . 3.6 pp 42.76 -167.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.511 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.424 ' N ' HD12 ' A' ' 162' ' ' LEU . 6.9 mtmt -91.19 119.58 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.6 t -123.41 5.05 9.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.538 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.96 45.69 25.91 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.96 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.943 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.791 0.329 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 14' ' ' ALA . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 148' ' ' ILE . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 ' HG3' ' A' ' 142' ' ' GLU . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 30' ' ' LEU . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.894 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.695 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.889 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.941 ' HB3' HD22 ' A' ' 154' ' ' LEU . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.735 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 96' ' ' LEU . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.934 ' HG2' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.676 HG23 HD22 ' A' ' 89' ' ' LEU . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' A' ' 70' ' ' THR . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 82' ' ' LEU . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.636 HG23 ' OD1' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 82' ' ' LEU . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.576 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 17' ' ' LEU . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD22 HG23 ' A' ' 61' ' ' ILE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.705 ' O ' HD12 ' A' ' 96' ' ' LEU . 7.4 tp60 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 54' ' ' ILE . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HG21 ' A' ' 107' ' ' ILE . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HG13 ' A' ' 107' ' ' ILE . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.807 HG13 HG13 ' A' ' 106' ' ' VAL . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.497 ' N ' HD12 ' A' ' 111' ' ' LEU . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.934 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.694 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.771 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.889 HD11 ' HA ' ' A' ' 37' ' ' GLU . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.597 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.631 ' HG3' HG21 ' A' ' 24' ' ' ILE . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.814 HG21 HG21 ' A' ' 127' ' ' ILE . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.63 HH11 HD21 ' A' ' 77' ' ' LEU . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 18' ' ' LEU . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.714 ' H ' HD12 ' A' ' 154' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.735 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD22 ' SD ' ' A' ' 149' ' ' MET . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD13 ' A' ' 81' ' ' LEU . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CA ' ' A' ' 149' ' ' MET . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.428 ' HE2' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.886 ' O ' HD13 ' A' ' 30' ' ' LEU . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.835 ' HA ' HD11 ' A' ' 127' ' ' ILE . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' ' 154' ' ' LEU . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.9 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.922 ' HA ' HG21 ' A' ' 106' ' ' VAL . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 155' ' ' SER . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CB ' HD13 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG3' HG23 ' A' ' 117' ' ' ILE . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.442 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 HD22 ' A' ' 89' ' ' LEU . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.688 ' HA ' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 89' ' ' LEU . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 82' ' ' LEU . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.748 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 87' ' ' ILE . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 85' ' ' PHE . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.913 HG13 HG21 ' A' ' 107' ' ' ILE . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.732 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.922 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.913 HG21 HG13 ' A' ' 100' ' ' VAL . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.78 ' OH ' HG23 ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' HG3' ' A' ' 59' ' ' GLU . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 60' ' ' MET . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 127' ' ' ILE . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 144' ' ' VAL . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.589 ' SD ' HD22 ' A' ' 15' ' ' LEU . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 155' ' ' SER . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.982 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 152' ' ' PHE . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 81' ' ' LEU . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 149' ' ' MET . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.742 ' O ' HD12 ' A' ' 30' ' ' LEU . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 29' ' ' CYS . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.748 ' O ' HG11 ' A' ' 143' ' ' VAL . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 147' ' ' GLU . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.909 ' HA ' HD11 ' A' ' 127' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.996 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.712 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.93 ' O ' HD11 ' A' ' 158' ' ' LEU . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.986 ' CG ' HD12 ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 1.2 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.694 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 96' ' ' LEU . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' CA ' HD23 ' A' ' 96' ' ' LEU . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.685 ' HA ' HG11 ' A' ' 120' ' ' VAL . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 89' ' ' LEU . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 82' ' ' LEU . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 82' ' ' LEU . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.678 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 85' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 57' ' ' LEU . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.788 HG22 HD13 ' A' ' 107' ' ' ILE . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.872 HG13 HG13 ' A' ' 107' ' ' ILE . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 106' ' ' VAL . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 111' ' ' LEU . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.533 ' N ' HD12 ' A' ' 111' ' ' LEU . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.475 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 60' ' ' MET . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 145' ' ' ARG . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.748 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.647 HG11 HG23 ' A' ' 127' ' ' ILE . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 144' ' ' VAL . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 35' ' ' ASP . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.758 ' HB2' HD23 ' A' ' 18' ' ' LEU . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.436 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.996 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.553 ' HB2' HD21 ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HZ ' ' A' ' 152' ' ' PHE . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 149' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 29' ' ' CYS . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' HG11 ' A' ' 143' ' ' VAL . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.829 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.803 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.803 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.61 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.721 HG21 ' HB3' ' A' ' 99' ' ' CYS . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 155' ' ' SER . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HA ' HD13 ' A' ' 96' ' ' LEU . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 117' ' ' ILE . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.47 ' HA ' HG11 ' A' ' 120' ' ' VAL . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 93' ' ' LEU . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.487 HG22 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.914 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.655 ' HB3' HD11 ' A' ' 82' ' ' LEU . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 85' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' HIS . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.721 ' HB3' HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.965 HG13 HG21 ' A' ' 107' ' ' ILE . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 107' ' ' ILE . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.965 HG21 HG13 ' A' ' 100' ' ' VAL . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.411 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.47 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.914 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.829 HD11 ' CB ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 24' ' ' ILE . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 139' ' ' CYS . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.724 HG11 HG23 ' A' ' 127' ' ' ILE . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.504 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.629 ' HZ ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 155' ' ' SER . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.785 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 152' ' ' PHE . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 21' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.676 ' HE1' HD23 ' A' ' 18' ' ' LEU . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 30' ' ' LEU . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.83 ' O ' HG11 ' A' ' 143' ' ' VAL . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.662 ' CB ' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 2.9 mp0 -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 56' ' ' VAL . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 158' ' ' LEU . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' HD11 ' A' ' 107' ' ' ILE . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 42' ' ' GLU . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 155' ' ' SER . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.846 ' CB ' HD13 ' A' ' 96' ' ' LEU . 37.1 t-80 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.848 ' HG2' HG23 ' A' ' 117' ' ' ILE . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.677 ' HA ' HG11 ' A' ' 120' ' ' VAL . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' A' ' 93' ' ' LEU . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 82' ' ' LEU . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.93 ' CD2' HD21 ' A' ' 17' ' ' LEU . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 96' ' ' LEU . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' A' ' 106' ' ' VAL . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 51' ' ' ALA . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 106' ' ' VAL . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.848 HG23 ' HG2' ' A' ' 59' ' ' GLU . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 60' ' ' MET . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' CD ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 ' CB ' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.436 ' HA ' HG22 ' A' ' 144' ' ' VAL . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.61 HG11 HG23 ' A' ' 127' ' ' ILE . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.516 ' N ' HG23 ' A' ' 144' ' ' VAL . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 144' ' ' VAL . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 154' ' ' LEU . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.818 HD22 ' SD ' ' A' ' 149' ' ' MET . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 29' ' ' CYS . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.774 ' O ' HG11 ' A' ' 143' ' ' VAL . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' HG21 ' A' ' 56' ' ' VAL . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.955 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.617 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 106' ' ' VAL . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.666 ' HB1' ' CE2' ' A' ' 43' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 99' ' ' CYS . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.667 HG22 ' OG ' ' A' ' 116' ' ' SER . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.955 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.716 HG21 HD12 ' A' ' 93' ' ' LEU . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CA ' HD13 ' A' ' 89' ' ' LEU . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HD21 ' A' ' 82' ' ' LEU . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.813 HD23 HD12 ' A' ' 81' ' ' LEU . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.813 HD12 HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.456 ' CG ' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 65' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 54' ' ' ILE . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.668 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG13 HG12 ' A' ' 107' ' ' ILE . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 104' ' ' VAL . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 52' ' ' GLN . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.499 HG12 HG13 ' A' ' 100' ' ' VAL . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.667 ' OG ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.812 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.452 ' HB2' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.869 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.519 ' HG3' HG21 ' A' ' 24' ' ' ILE . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.652 HG11 HG23 ' A' ' 127' ' ' ILE . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.453 ' N ' HG23 ' A' ' 144' ' ' VAL . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.818 ' SD ' HD22 ' A' ' 15' ' ' LEU . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.917 ' HB3' HD11 ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 50' ' ' LYS . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.87 HD21 ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.881 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.701 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 30' ' ' LEU . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 29' ' ' CYS . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 143' ' ' VAL . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' HD11 ' A' ' 127' ' ' ILE . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.755 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.555 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.814 ' HA ' HD13 ' A' ' 96' ' ' LEU . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' HD13 ' A' ' 117' ' ' ILE . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.548 ' HA ' HG11 ' A' ' 120' ' ' VAL . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 89' ' ' LEU . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 87' ' ' ILE . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.87 ' CD2' HD21 ' A' ' 17' ' ' LEU . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 85' ' ' PHE . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 ' HA ' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.55 ' HB2' HG21 ' A' ' 54' ' ' ILE . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.836 ' HA ' HD13 ' A' ' 107' ' ' ILE . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.492 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' VAL . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.786 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.862 HG21 HG21 ' A' ' 144' ' ' VAL . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HB2' ' HG2' ' A' ' 134' ' ' LYS . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.453 ' CE3' HD21 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 24' ' ' ILE . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 32' ' ' ASP . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 127' ' ' ILE . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.704 ' HB ' HD11 ' A' ' 18' ' ' LEU . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.485 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 155' ' ' SER . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.825 ' N ' HD12 ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.678 ' O ' HD12 ' A' ' 30' ' ' LEU . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 29' ' ' CYS . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.602 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.876 ' HA ' HD11 ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HB3' HD22 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.758 ' HB3' HD21 ' A' ' 158' ' ' LEU . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.889 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 99' ' ' CYS . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.813 ' HA ' HD13 ' A' ' 96' ' ' LEU . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.698 ' CE ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.698 HD13 ' CE ' ' A' ' 60' ' ' MET . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' HG3' HD21 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.437 HE21 HG12 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' HA ' HD13 ' A' ' 89' ' ' LEU . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.859 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 67' ' ' LEU . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.462 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 82' ' ' LEU . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.881 HD23 HD12 ' A' ' 81' ' ' LEU . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD12 HD23 ' A' ' 77' ' ' LEU . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 74' ' ' SER . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 65' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' HB3' HG21 ' A' ' 61' ' ' ILE . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 58' ' ' HIS . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.475 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 107' ' ' ILE . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.889 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.89 HG23 ' OH ' ' A' ' 113' ' ' TYR . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.89 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.825 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 60' ' ' MET . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.428 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.876 HD11 ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.449 HD23 ' CZ2' ' A' ' 141' ' ' TRP . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.833 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.455 ' HA ' HG22 ' A' ' 144' ' ' VAL . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 24' ' ' ILE . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 32' ' ' ASP . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.75 HG11 HG23 ' A' ' 127' ' ' ILE . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.736 ' O ' HD21 ' A' ' 18' ' ' LEU . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.637 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 156' ' ' ILE . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 45' ' ' ASP . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.734 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.616 ' O ' HG11 ' A' ' 143' ' ' VAL . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' HG21 ' A' ' 56' ' ' VAL . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.863 ' HA ' HG21 ' A' ' 106' ' ' VAL . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 42' ' ' GLU . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.441 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.589 HG23 HD22 ' A' ' 89' ' ' LEU . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.474 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 82' ' ' LEU . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.479 ' HG ' ' HH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 17' ' ' LEU . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 84' ' ' GLU . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 85' ' ' PHE . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 57' ' ' LEU . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.041 HG13 HG21 ' A' ' 107' ' ' ILE . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 106' ' ' VAL . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.041 HG21 HG13 ' A' ' 100' ' ' VAL . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.462 HG22 ' HG2' ' A' ' 39' ' ' PRO . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 140' ' ' ALA . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.755 ' HG3' ' HB2' ' A' ' 140' ' ' ALA . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 24' ' ' ILE . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.755 ' HB2' ' HG3' ' A' ' 134' ' ' LYS . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.4 ' OE1' HG21 ' A' ' 24' ' ' ILE . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.871 HG11 HG23 ' A' ' 127' ' ' ILE . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 144' ' ' VAL . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 158' ' ' LEU . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.71 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.594 ' NE2' HD23 ' A' ' 81' ' ' LEU . 3.2 tt0 -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 142' ' ' GLU . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.591 ' O ' HD12 ' A' ' 30' ' ' LEU . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 29' ' ' CYS . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 143' ' ' VAL . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.907 ' HA ' HD11 ' A' ' 127' ' ' ILE . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB3' HD22 ' A' ' 154' ' ' LEU . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.784 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.784 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 99' ' ' CYS . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.804 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 93' ' ' LEU . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' CE2' ' A' ' 85' ' ' PHE . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 82' ' ' LEU . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.691 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 14' ' ' ALA . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD21 ' HE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.416 HD12 ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 95' ' ' ASP . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.594 ' HB2' HG21 ' A' ' 54' ' ' ILE . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.075 HG13 HG21 ' A' ' 107' ' ' ILE . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 52' ' ' GLN . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.075 HG21 HG13 ' A' ' 100' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.823 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.804 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.42 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB2' HD23 ' A' ' 118' ' ' LEU . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.907 HD11 ' HA ' ' A' ' 37' ' ' GLU . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 140' ' ' ALA . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD23 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 33' ' ' ARG . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.744 HG21 ' CG2' ' A' ' 127' ' ' ILE . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 148' ' ' ILE . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.57 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.968 HD12 ' N ' ' A' ' 155' ' ' SER . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.968 ' N ' HD12 ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.649 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 149' ' ' MET . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 HD13 ' A' ' 81' ' ' LEU . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' SER . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' C ' HD22 ' A' ' 30' ' ' LEU . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG11 ' A' ' 143' ' ' VAL . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.656 ' CA ' HD11 ' A' ' 127' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.718 HG23 ' HB3' ' A' ' 96' ' ' LEU . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 120' ' ' VAL . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 155' ' ' SER . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' HG23 ' A' ' 117' ' ' ILE . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.517 ' HA ' HG11 ' A' ' 120' ' ' VAL . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.557 ' HB ' HD22 ' A' ' 89' ' ' LEU . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.765 ' HA ' HD13 ' A' ' 89' ' ' LEU . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' ND2' HG23 ' A' ' 70' ' ' THR . 0.6 OUTLIER -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CB ' ' A' ' 73' ' ' SER . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' HD21 ' A' ' 82' ' ' LEU . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.497 HG23 ' ND2' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.601 ' CB ' HD23 ' A' ' 67' ' ' LEU . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 145' ' ' ARG . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD11 ' OH ' ' A' ' 86' ' ' TYR . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.765 HD13 ' HA ' ' A' ' 65' ' ' PHE . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.718 ' HB3' HG23 ' A' ' 54' ' ' ILE . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 107' ' ' ILE . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' ILE . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 106' ' ' VAL . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.462 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 60' ' ' MET . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.578 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.676 HG23 HG11 ' A' ' 144' ' ' VAL . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.482 ' CD2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.676 HG11 HG23 ' A' ' 127' ' ' ILE . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 18' ' ' LEU . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.468 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.646 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.692 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.99 0.424 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.776 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.766 ' HE2' ' HB2' ' A' ' 146' ' ' ALA . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB2' ' A' ' 142' ' ' GLU . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' C ' HD12 ' A' ' 30' ' ' LEU . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.811 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.819 ' HB3' HD22 ' A' ' 154' ' ' LEU . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.698 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.854 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.751 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG3' HD13 ' A' ' 117' ' ' ILE . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 HG22 HD12 ' A' ' 93' ' ' LEU . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.794 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 58' ' ' HIS . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 107' ' ' ILE . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.417 ' NE2' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.854 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.814 HG21 HG22 ' A' ' 100' ' ' VAL . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.588 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.811 HD11 ' HA ' ' A' ' 37' ' ' GLU . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.524 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.443 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.773 HG11 HG23 ' A' ' 127' ' ' ILE . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.766 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 18' ' ' LEU . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.669 ' H ' HD12 ' A' ' 154' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.908 ' O ' HD13 ' A' ' 30' ' ' LEU . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.908 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.638 ' O ' HG11 ' A' ' 143' ' ' VAL . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.768 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 159' ' ' GLN . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.971 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.873 ' HA ' HG21 ' A' ' 106' ' ' VAL . 18.1 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 99' ' ' CYS . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG22 ' A' ' 120' ' ' VAL . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 155' ' ' SER . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 117' ' ' ILE . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 93' ' ' LEU . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 77' ' ' LEU . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.629 ' CB ' HG21 ' A' ' 54' ' ' ILE . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.785 ' HA ' HD13 ' A' ' 107' ' ' ILE . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' OE1' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.971 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.785 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.535 ' SD ' HG23 ' A' ' 106' ' ' VAL . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 120' ' ' VAL . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.512 HG22 HG13 ' A' ' 56' ' ' VAL . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.95 HG23 HG11 ' A' ' 144' ' ' VAL . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.485 HD23 ' CE2' ' A' ' 141' ' ' TRP . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 67' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 24' ' ' ILE . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 139' ' ' CYS . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.95 HG11 HG23 ' A' ' 127' ' ' ILE . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' A' ' 148' ' ' ILE . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.768 ' HB2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 38' ' ' PHE . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.582 ' O ' HD21 ' A' ' 57' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 48' ' ' PHE . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 50' ' ' LYS . 1.9 tm0? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.742 0.306 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.826 ' HG3' HD21 ' A' ' 81' ' ' LEU . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.815 ' C ' HD22 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.801 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.681 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' ' 106' ' ' VAL . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 155' ' ' SER . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE3' ' HG2' ' A' ' 37' ' ' GLU . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 89' ' ' LEU . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HG3' HD21 ' A' ' 93' ' ' LEU . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HD13 ' A' ' 82' ' ' LEU . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.826 HD21 ' HG3' ' A' ' 20' ' ' GLN . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 68' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.692 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.436 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 54' ' ' ILE . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 96' ' ' LEU . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 ' H ' ' A' ' 106' ' ' VAL . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.769 ' HB ' ' HB1' ' A' ' 51' ' ' ALA . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.572 HG13 HG13 ' A' ' 106' ' ' VAL . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.641 HG23 ' HG2' ' A' ' 59' ' ' GLU . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.841 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 56' ' ' VAL . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' HD22 ' A' ' 118' ' ' LEU . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.605 ' HE2' HD12 ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.843 ' CG2' HG21 ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.441 HD21 ' CE3' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.441 ' CE3' HD21 ' A' ' 131' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 147' ' ' GLU . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.843 HG21 ' CG2' ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.726 ' HB2' HD21 ' A' ' 57' ' ' LEU . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 159' ' ' GLN . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.426 ' N ' HD12 ' A' ' 158' ' ' LEU . 3.8 pt20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.717 ' HB2' ' CD ' ' A' ' 88' ' ' GLU . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 81' ' ' LEU . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.417 ' HE1' ' HB2' ' A' ' 146' ' ' ALA . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 127' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.969 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.636 ' OE1' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.833 ' HB3' HD23 ' A' ' 154' ' ' LEU . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD21 ' A' ' 158' ' ' LEU . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.818 ' HA ' HG21 ' A' ' 106' ' ' VAL . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 57' ' ' LEU . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.746 HG21 ' CB ' ' A' ' 99' ' ' CYS . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG23 HD22 ' A' ' 89' ' ' LEU . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 89' ' ' LEU . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD2' HD21 ' A' ' 82' ' ' LEU . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.471 ' HG ' ' HZ2' ' A' ' 141' ' ' TRP . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 77' ' ' LEU . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 HD12 ' A' ' 81' ' ' LEU . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 84' ' ' GLU . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.717 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 61' ' ' ILE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 96' ' ' LEU . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 54' ' ' ILE . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.746 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.99 HG13 HG21 ' A' ' 107' ' ' ILE . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.569 ' CG1' HD12 ' A' ' 107' ' ' ILE . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.99 HG21 HG13 ' A' ' 100' ' ' VAL . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.494 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 118' ' ' LEU . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.442 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.624 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.471 ' HZ2' ' HG ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 33' ' ' ARG . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 127' ' ' ILE . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' A' ' 77' ' ' LEU . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 145' ' ' ARG . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 156' ' ' ILE . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.969 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' SER . . . . . 0.837 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 153' ' ' SER . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 158' ' ' LEU . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.91 118.76 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mp -76.0 142.45 72.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.78 -45.89 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.508 2.139 . . . . 0.0 112.363 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.91 82.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER 59.88 -176.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' H ' HG22 ' A' ' 6' ' ' THR . 39.2 m80 -95.01 130.23 41.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -121.86 161.68 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.35 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.01 -176.11 49.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.835 ' HB2' HD13 ' A' ' 156' ' ' ILE . 57.4 t30 -107.85 -24.66 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' H ' HD12 ' A' ' 15' ' ' LEU . 6.3 mtp180 59.49 20.97 9.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 mpt_? -128.1 113.43 15.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.593 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . 80.36 -5.93 1.74 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.638 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD12 ' H ' ' A' ' 12' ' ' ARG . 92.1 mt -73.44 -31.37 63.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.58 -52.83 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.244 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 14' ' ' ALA . 1.4 pp -59.12 -34.31 71.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 148' ' ' ILE . 1.5 mt -65.04 -36.64 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.58 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -19.32 58.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpt -97.23 18.84 14.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.163 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.82 16.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.508 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.67 55.05 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 ' HG3' ' A' ' 142' ' ' GLU . 3.8 tt -52.75 161.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -91.02 135.63 28.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.756 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.68 -16.69 56.21 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.159 . . . . 0.0 112.326 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -81.82 -0.51 43.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.547 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 m -67.66 -42.35 82.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.801 0.334 . . . . 0.0 111.047 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' O ' HD13 ' A' ' 30' ' ' LEU . 31.2 p -160.75 160.18 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.894 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.49 -62.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.075 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.95 -7.36 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.596 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.695 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.7 OUTLIER -93.47 28.06 2.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.663 0.268 . . . . 0.0 111.212 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 93.04 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.373 . . . . 0.0 111.187 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.98 171.98 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 5.5 p-10 -121.8 89.46 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.864 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.76 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.784 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.889 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.6 tp10 -79.02 -65.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.97 110.7 47.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.152 0.501 . . . . 0.0 111.659 -178.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 15.5 Cg_exo -67.6 103.08 0.78 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.756 -0.901 . . . . 0.0 109.756 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 33.1 tt0 -64.93 -26.98 68.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.187 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.61 -41.63 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.91 -27.16 23.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.564 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.941 ' HB3' HD22 ' A' ' 154' ' ' LEU . 21.9 m-85 -89.81 2.06 55.39 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 40' ' ' GLN . 36.5 t70 -82.74 162.73 21.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.769 0.318 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -78.62 0.59 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.064 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -56.68 -31.86 64.86 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.52 65.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.735 ' CG ' HD13 ' A' ' 158' ' ' LEU . 4.4 t80 -126.92 137.15 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.211 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -142.48 -176.81 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -61.82 -64.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.245 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -57.78 -45.78 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.15 -41.24 75.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 96' ' ' LEU . 44.6 mm -55.48 -33.09 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.669 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -54.28 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 11.8 t -71.88 -47.92 53.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.789 0.328 . . . . 0.0 111.431 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.1 mp -52.42 -45.79 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.5 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 11.8 t-160 -56.25 -49.77 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.22 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.934 ' HG2' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -66.42 -38.19 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.844 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.9 -48.43 80.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.676 HG23 HD22 ' A' ' 89' ' ' LEU . 34.7 mm -69.85 -46.74 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -36.6 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.49 -43.29 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.9 m -59.76 -38.68 82.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.02 -36.21 78.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' A' ' 70' ' ' THR . 17.3 t-20 -75.75 -29.07 58.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 6.8 tp -57.93 -57.58 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 82' ' ' LEU . 65.4 m-85 -77.72 -44.98 26.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.963 0.411 . . . . 0.0 111.398 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -56.83 -18.8 14.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.324 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.636 HG23 ' OD1' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -74.94 -5.22 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 70' ' ' THR . 3.7 ttpm? 87.96 -33.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.44 0.296 . . . . 0.0 111.458 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -69.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.362 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t -69.68 -26.65 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.28 -42.86 78.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.857 0.36 . . . . 0.0 110.792 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -15.29 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.42 -35.39 54.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 82' ' ' LEU . 4.8 mp -104.92 152.78 22.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.99 140.63 42.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -30.0 47.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.271 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.9 m -73.26 -50.99 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -70.53 -36.89 73.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.402 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.1 tm? -68.17 -49.04 63.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.985 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.31 -33.5 67.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.05 -32.33 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.151 0.501 . . . . 0.0 110.106 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.576 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.4 t80 -59.16 -40.92 87.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.8 m-30 -57.2 -51.24 70.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.34 -34.53 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.34 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 17' ' ' LEU . 2.9 mm-40 -57.51 -50.85 71.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD22 HG23 ' A' ' 61' ' ' ILE . 55.3 mt -63.95 -35.05 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.91 -44.53 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.039 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.69 -45.47 94.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.705 ' O ' HD12 ' A' ' 96' ' ' LEU . 7.4 tp60 -71.52 -35.53 70.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -41.94 99.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.26 -37.41 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -43.08 95.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 92' ' ' GLN . 0.9 OUTLIER -78.91 -45.15 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.55 -35.7 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -39.33 94.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 54' ' ' ILE . 30.9 m -64.67 -33.82 76.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HG21 ' A' ' 107' ' ' ILE . 21.2 t -59.35 -42.61 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -29.39 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -21.63 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 67.18 39.5 3.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.6 p -58.7 -38.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.71 -39.98 2.34 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.772 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HG13 ' A' ' 107' ' ' ILE . 12.9 p -63.17 -28.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 0.0 111.343 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.807 HG13 HG13 ' A' ' 106' ' ' VAL . 12.2 mt -102.36 40.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.044 0.449 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -134.61 -36.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -46.57 112.62 1.93 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.94 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.84 -32.85 45.07 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.402 2.068 . . . . 0.0 111.497 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.6 pp -84.04 -42.24 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.434 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.497 ' N ' HD12 ' A' ' 111' ' ' LEU . 7.7 mtt -66.75 -24.74 66.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -49.22 75.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.76 -48.08 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.738 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -59.35 -41.99 90.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.507 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.6 p -76.91 -47.27 21.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.373 . . . . 0.0 111.384 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.934 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.5 mm -67.83 -49.35 70.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.694 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.1 tm? -57.49 -40.29 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.215 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.31 -36.46 63.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.374 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 20.3 t -82.34 -44.25 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -62.54 -43.09 99.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.325 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -59.38 -51.5 69.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.998 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -70.45 -43.86 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.771 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 36.2 t80 -60.93 -29.9 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.72 -34.41 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -62.06 -40.04 94.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.889 HD11 ' HA ' ' A' ' 37' ' ' GLU . 54.4 mt -58.58 -44.8 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.43 -48.02 83.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.97 -34.65 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.57 -51.73 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 6.1 mp -65.07 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.287 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.4 m -55.86 -35.85 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -100.09 -5.02 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.478 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 29.47 15.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 12.8 m-85 59.77 66.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.9 t -71.19 -71.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -35.7 55.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -41.83 71.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.597 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 5.0 m95 -73.5 -34.28 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.631 ' HG3' HG21 ' A' ' 24' ' ' ILE . 3.3 tm-20 -65.78 -49.22 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.7 m -56.67 -43.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.814 HG21 HG21 ' A' ' 127' ' ' ILE . 7.1 p -74.47 -39.9 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.466 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.63 HH11 HD21 ' A' ' 77' ' ' LEU . 2.4 mmp_? -63.5 -50.68 68.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.36 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.666 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -62.19 -35.65 79.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.473 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 18' ' ' LEU . 68.1 mt -54.49 -34.24 28.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.5 tpp -56.74 -41.31 77.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.1 ttt180 -64.65 -42.77 95.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.355 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -58.46 -35.46 72.19 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.32 178.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -79.65 -26.47 41.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 39.8 t -70.09 -59.79 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.848 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -70.8 -34.8 72.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 111.529 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.714 ' H ' HD12 ' A' ' 154' ' ' LEU . 35.8 p -52.61 -50.4 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.835 HD13 ' HB2' ' A' ' 11' ' ' ASN . 3.0 mt -103.74 56.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.285 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -178.21 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.735 HD13 ' CG ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.38 -35.63 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.47 -37.46 17.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -63.13 -25.94 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 62.03 31.56 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.67 104.11 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.7 mttt 63.54 137.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.6 t -121.94 -123.1 0.27 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.512 0.673 . . . . 0.0 110.116 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.49 39.62 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.81 137.03 38.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.4 mp 59.46 86.39 0.16 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.67 81.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.583 2.189 . . . . 0.0 112.271 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 35.13 25.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -91.67 -47.0 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' HD23 ' A' ' 3' ' ' LEU . 2.9 t-80 -82.33 147.11 29.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 p -164.25 31.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -106.71 -66.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.5 168.37 38.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -87.06 -65.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.86 80.57 0.21 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -168.75 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.4 -28.86 13.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD22 ' SD ' ' A' ' 149' ' ' MET . 15.0 mt -57.17 -31.11 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.7 mp -76.96 -42.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD13 ' A' ' 81' ' ' LEU . 6.6 tp -58.97 -46.64 87.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.786 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CA ' ' A' ' 149' ' ' MET . 3.2 mt -67.22 -34.22 77.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 110.869 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -31.42 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.544 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -17.68 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.428 ' HE2' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -100.27 26.74 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.996 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -13.49 16.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.625 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -69.27 -11.18 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 tt -59.01 164.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.767 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.49 116.32 66.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.736 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.61 -16.68 19.8 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.447 2.098 . . . . 0.0 112.297 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -70.67 -14.12 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.433 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -67.8 -29.6 68.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.676 0.274 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.886 ' O ' HD13 ' A' ' 30' ' ' LEU . 15.8 p -161.6 154.41 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.37 -61.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.098 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -74.19 -6.96 50.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.594 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -81.04 6.54 13.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.92 84.09 7.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.09 174.2 6.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.419 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 2.2 p30 -121.97 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.64 -0.89 18.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.206 179.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.835 ' HA ' HD11 ' A' ' 127' ' ' ILE . 8.7 tm-20 -85.32 -62.6 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.877 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -105.42 111.73 64.89 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.04 0.448 . . . . 0.0 111.586 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.7 Cg_exo -66.82 102.3 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 N-CA-C 109.694 -0.925 . . . . 0.0 109.694 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 34.3 tt0 -64.63 -26.25 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.85 -41.59 67.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.671 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 35.5 mm-40 -86.26 -20.26 28.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.757 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' ' 154' ' ' LEU . 29.0 m-85 -86.38 -25.37 25.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.195 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -60.78 149.13 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -79.67 0.84 28.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.039 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -56.98 -22.34 37.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.954 0.407 . . . . 0.0 110.868 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -173.11 64.67 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.6 OUTLIER -158.37 148.94 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.869 -176.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -177.12 5.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.04 0.447 . . . . 0.0 111.448 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 159' ' ' GLN . 1.7 pttp -55.97 -61.47 2.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.798 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.9 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.29 -40.61 64.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.243 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.922 ' HA ' HG21 ' A' ' 106' ' ' VAL . 5.4 mt-30 -68.48 -41.07 80.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.65 -35.7 72.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 96' ' ' LEU . 48.3 mm -55.83 -35.55 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -52.22 37.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.491 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 29.2 t -70.25 -45.55 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.559 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 155' ' ' SER . 5.6 mp -52.08 -45.85 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.909 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CB ' HD13 ' A' ' 96' ' ' LEU . 12.8 t-80 -60.02 -49.78 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG3' HG23 ' A' ' 117' ' ' ILE . 72.9 mm-40 -65.3 -33.46 76.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.076 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.442 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.03 -48.69 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 HD22 ' A' ' 89' ' ' LEU . 28.5 mm -71.78 -40.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.216 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.688 ' HA ' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -59.63 -37.96 80.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.58 -40.07 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 85' ' ' PHE . 62.3 m -59.69 -33.59 71.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 89' ' ' LEU . 31.1 t80 -62.95 -48.38 79.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.787 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.54 -29.3 70.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.624 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.62 -59.06 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 111.443 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 82' ' ' LEU . 44.5 m-85 -78.23 -38.47 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.086 0.469 . . . . 0.0 111.224 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.4 t -61.48 -11.37 10.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.629 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -73.8 0.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.925 0.393 . . . . 0.0 110.795 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 176.24 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.0 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.286 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -65.19 -23.66 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -56.56 -44.97 81.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.027 0.442 . . . . 0.0 110.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.21 -5.08 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -39.68 47.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.0 mp -113.67 155.03 26.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.57 149.69 20.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.726 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -40.85 65.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.321 . . . . 0.0 111.082 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.2 m -62.85 -50.42 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.29 -38.89 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.748 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.12 -46.55 70.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.93 -36.06 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 87' ' ' ILE . 5.0 mt-10 -70.18 -31.17 68.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.3 t80 -58.95 -44.63 91.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.853 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.0 m-85 -54.44 -51.18 65.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.294 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.9 mt -63.07 -34.55 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.5 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -46.73 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 85' ' ' PHE . 25.8 mt -73.15 -42.05 63.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.448 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.07 -35.81 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.38 -47.26 77.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.407 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.56 -29.0 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.371 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -56.65 -46.79 80.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.066 -179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -61.97 -27.21 68.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.34 -57.01 3.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.772 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.3 tt -61.2 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.098 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.34 -35.59 65.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.983 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -75.1 -26.4 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 57.1 m -88.57 -33.6 17.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.913 HG13 HG21 ' A' ' 107' ' ' ILE . 41.3 t -61.93 -33.08 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.057 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.16 -29.86 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.19 -25.66 67.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 67.8 62.07 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.379 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.732 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.04 -40.59 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.684 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.5 -49.52 0.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.605 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.922 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.5 p -53.66 -24.46 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.292 . . . . 0.0 111.42 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.913 HG21 HG13 ' A' ' 100' ' ' VAL . 2.3 mt -96.02 38.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.96 -36.96 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -85.95 112.78 47.76 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.98 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.44 -39.54 55.27 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.494 2.129 . . . . 0.0 112.237 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.7 -51.01 71.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.9 mtp -56.41 -23.24 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.78 ' OH ' HG23 ' A' ' 107' ' ' ILE . 1.1 m-85 -78.72 -45.12 21.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 8.1 mt-10 -59.29 -52.93 63.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.403 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.36 -41.34 89.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.754 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.7 p -76.37 -50.42 14.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' HG3' ' A' ' 59' ' ' GLU . 60.7 mt -66.84 -41.4 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.759 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.05 -30.78 62.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.779 0.324 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.25 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 60' ' ' MET . 22.0 t -79.24 -45.31 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.309 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.25 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -51.59 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -60.05 -41.36 92.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.8 t80 -58.32 -39.18 78.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.754 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.82 -33.88 73.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.32 -41.91 90.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.775 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 37' ' ' GLU . 49.7 mt -57.37 -42.01 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 m -60.4 -47.9 84.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.94 -34.56 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -62.49 -53.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 7.2 mp -65.03 -38.22 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.4 m -56.23 -34.5 66.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.772 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -31.8 72.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -100.36 -3.7 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.342 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 60.72 29.18 18.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.75 0.31 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.2 m-85 55.78 66.11 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.8 t -70.72 -76.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 52.4 p -168.78 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -32.21 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -57.71 -38.89 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.5 m95 -73.45 -34.25 65.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.27 -39.47 82.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.3 m -68.46 -41.92 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 127' ' ' ILE . 7.4 p -71.89 -47.84 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 144' ' ' VAL . 6.5 ppt_? -62.93 -39.78 95.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.384 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.61 62.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.43 -37.52 80.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.54 -33.35 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.589 ' SD ' HD22 ' A' ' 15' ' ' LEU . 1.9 tpt -61.1 -43.23 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.494 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.446 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -63.33 -46.71 85.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.643 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.9 -39.71 82.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.3 m-85 -64.94 -25.11 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 9.1 t -81.35 -55.43 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.584 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 155' ' ' SER . 3.0 pp -68.7 -36.91 79.08 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.328 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.982 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.6 p -47.63 -26.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.9 pt -111.22 -24.76 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -91.89 -8.02 47.6 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.44 -50.18 23.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 1.1 pt20 -52.77 -52.99 54.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.67 -36.09 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 57.87 19.56 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.386 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.3 mp 46.59 40.96 9.18 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 111.406 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.84 28.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.5 t -125.31 6.53 7.75 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp 57.58 39.49 27.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -101.98 128.94 48.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.23 103.75 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.39 -60.32 0.9 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.509 2.139 . . . . 0.0 112.403 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.87 162.95 19.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -67.43 154.37 41.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -86.68 91.39 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.19 -41.19 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.64 162.0 25.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.31 -70.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.128 0.49 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.53 28.82 18.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -110.94 -32.4 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -99.17 -26.31 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 152' ' ' PHE . 69.9 mt -54.92 -32.67 61.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.939 0.399 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 22.4 mm -63.99 -34.13 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 81' ' ' LEU . 11.6 tp -58.13 -42.28 85.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 149' ' ' MET . 5.2 mp -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.26 -31.25 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.396 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.64 -18.71 55.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.24 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mmm -107.71 30.64 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -103.35 -13.4 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.45 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -12.07 61.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.584 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.87 162.99 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 110.761 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -95.75 125.88 47.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.21 -16.39 46.09 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.432 2.088 . . . . 0.0 112.22 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.42 -2.14 36.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.563 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 -30.46 69.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.742 ' O ' HD12 ' A' ' 30' ' ' LEU . 9.1 p -144.42 164.37 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.787 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 29' ' ' CYS . 8.8 mp -139.75 -62.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.72 -6.59 51.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.938 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.748 ' O ' HG11 ' A' ' 143' ' ' VAL . 15.4 m-20 -90.62 26.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 10.4 ptm180 -93.91 70.75 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.319 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.6 m80 -113.37 168.13 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 147' ' ' GLU . 8.6 p-10 -121.71 89.38 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.584 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.93 -0.15 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.521 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.909 ' HA ' HD11 ' A' ' 127' ' ' ILE . 10.5 tm-20 -78.05 -67.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.996 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.45 111.54 61.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.126 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' A' ' 123' ' ' TYR . 25.1 Cg_exo -62.14 102.62 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 120.298 0.665 . . . . 0.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.712 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 14.6 tt0 -64.69 -24.23 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -53.45 -41.84 66.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 0.0 109.833 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -86.91 -27.46 23.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.888 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.93 ' O ' HD11 ' A' ' 158' ' ' LEU . 26.3 m-85 -86.49 5.71 34.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.045 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.9 t0 -87.8 172.48 9.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 110.369 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -81.27 3.96 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -45.53 77.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -162.1 66.14 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.986 ' CG ' HD12 ' A' ' 158' ' ' LEU . 2.0 t80 -128.82 133.82 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.435 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 48' ' ' PHE . 1.2 mm-40 -142.44 -172.95 3.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.63 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -53.7 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.462 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -67.26 -43.34 82.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.746 0.308 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.694 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.6 -40.95 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.58 -37.87 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 96' ' ' LEU . 51.8 mm -55.3 -34.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 m -68.56 -54.82 14.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.43 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 3.7 t -72.39 -48.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.1 mp -52.31 -45.9 65.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' CA ' HD23 ' A' ' 96' ' ' LEU . 9.9 t-160 -60.05 -50.17 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -68.75 -35.3 76.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.685 ' HA ' HG11 ' A' ' 120' ' ' VAL . 11.9 tmm? -66.9 -48.63 68.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.389 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 89' ' ' LEU . 32.5 mm -71.52 -41.2 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -36.35 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.59 -47.52 63.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -59.51 -32.11 69.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' SER . 17.9 t80 -65.92 -32.28 73.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -78.63 -29.04 45.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.087 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.84 -58.54 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 82' ' ' LEU . 25.0 m-85 -78.0 -41.86 34.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.394 . . . . 0.0 111.725 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 25.0 t -57.84 -15.95 10.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -70.67 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 169.9 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -50.74 -67.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -64.1 -24.04 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.788 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -57.89 -42.42 84.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.77 -5.09 49.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.425 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.12 -43.07 35.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 82' ' ' LEU . 3.0 mt -111.91 154.78 24.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.95 147.14 9.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -39.3 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.21 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.3 m -65.34 -50.65 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 tm? -69.61 -36.28 76.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.62 -48.79 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.76 -31.61 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -70.12 -32.46 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.13 0.491 . . . . 0.0 110.055 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.678 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.2 t80 -59.06 -42.51 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.1 m-85 -54.01 -51.22 64.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.66 -34.99 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.2 -42.14 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 85' ' ' PHE . 36.5 mt -78.84 -38.53 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.56 -30.12 53.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.149 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.19 -44.08 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.5 -37.81 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.33 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -43.87 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.5 76.47 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 57' ' ' LEU . 1.7 tp -178.85 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.92 -35.46 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.67 -30.32 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -33.17 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.788 HG22 HD13 ' A' ' 107' ' ' ILE . 22.9 t -67.07 -42.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.4 ttm -69.43 -30.0 67.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -25.33 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 69.21 61.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.4 m -72.54 -44.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 124.91 10.38 4.81 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.083 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.872 HG13 HG13 ' A' ' 107' ' ' ILE . 13.0 p -101.61 -28.31 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.868 0.366 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 106' ' ' VAL . 4.6 mt -111.73 64.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -135.25 -46.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -59.61 115.39 12.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.53 -30.78 55.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.446 2.097 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 111' ' ' LEU . 3.1 pp -69.93 -39.74 75.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.533 ' N ' HD12 ' A' ' 111' ' ' LEU . 90.6 mtp -60.67 -31.49 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.41 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 2.9 m-85 -62.96 -46.16 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.6 mt-10 -58.29 -52.17 66.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.745 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 1.4 t0 -68.86 -42.21 77.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 p -77.0 -51.11 11.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.475 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -68.16 -49.64 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -64.39 -31.4 72.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.459 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -53.76 -42.47 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.685 HG11 ' HA ' ' A' ' 60' ' ' MET . 44.6 t -78.56 -42.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -61.73 -45.86 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.98 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 1.4 m-85 -69.96 -43.22 71.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.0 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CG ' ' HG2' ' A' ' 63' ' ' GLN . 4.6 t80 -56.62 -35.38 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.71 -34.03 73.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -59.45 -40.96 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 37' ' ' GLU . 44.1 mt -59.01 -46.92 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 m -60.66 -47.79 84.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.79 -34.64 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -63.6 -54.39 36.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.1 mp -60.66 -32.75 71.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 88.1 m -56.34 -32.92 65.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.36 -29.81 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.43 -4.85 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.82 28.35 18.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 58.64 63.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -69.75 -76.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.017 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.21 -47.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -31.07 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.52 72.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 131' ' ' LEU . 8.3 m95 -73.35 -34.28 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 145' ' ' ARG . 7.4 tm-20 -65.11 -45.96 82.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.748 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.4 m -62.12 -42.44 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.365 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.647 HG11 HG23 ' A' ' 127' ' ' ILE . 31.9 m -74.4 -46.6 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.361 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 144' ' ' VAL . 6.1 ppt_? -66.05 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.641 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.11 63.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 35' ' ' ASP . 62.7 mm-40 -68.67 -39.25 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 152' ' ' PHE . 30.1 mt -54.63 -29.09 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.738 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.758 ' HB2' HD23 ' A' ' 18' ' ' LEU . 42.9 tpp -56.37 -48.22 77.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -69.02 -42.65 76.11 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.619 -179.534 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.436 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 9.7 p -57.79 -34.76 69.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 110.527 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 148' ' ' ILE . 10.3 m-85 -59.13 -40.81 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 m -98.04 -18.59 18.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.708 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.996 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -66.81 -49.24 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.765 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.553 ' HB2' HD21 ' A' ' 57' ' ' LEU . 90.3 p -55.21 -38.34 68.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.878 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.44 -34.24 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -76.99 -26.56 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.55 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.618 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.88 -35.71 34.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.343 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -67.57 -29.56 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.28 128.58 38.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.88 -68.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.28 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 40.5 t -122.91 -123.41 0.27 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.487 0.66 . . . . 0.0 110.107 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 42.29 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.949 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.47 116.23 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mt -130.24 82.88 64.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 154.2 11.95 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.562 2.175 . . . . 0.0 112.276 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.18 172.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.9 p -76.95 159.52 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -89.19 121.25 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -130.48 162.97 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 10' ' ' GLY . 7.7 tt 59.91 160.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 9' ' ' LEU . . . -141.99 -130.46 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.583 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.51 -110.41 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.081 -0.07 . . . . 0.0 110.908 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 59.23 21.23 9.36 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -126.56 -49.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.911 0.386 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . . . -88.46 -25.81 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HZ ' ' A' ' 152' ' ' PHE . 0.2 OUTLIER -56.21 -41.17 75.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.51 -37.26 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.65 -44.84 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 149' ' ' MET . 1.1 mp -66.69 -30.77 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.951 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -60.45 -18.07 48.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 4.9 ptt? -100.7 38.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -101.36 -13.6 17.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -13.9 62.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.467 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.9 tt -64.77 162.63 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.597 0.237 . . . . 0.0 110.677 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 116.3 66.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.89 -16.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.484 2.123 . . . . 0.0 112.393 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -77.13 -3.81 41.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 m -67.68 -27.95 67.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.729 0.3 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.0 p -160.34 159.12 30.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 29' ' ' CYS . 10.7 mp -136.84 -65.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -74.88 -6.03 46.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.765 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' HG11 ' A' ' 143' ' ' VAL . 3.5 m-20 -90.08 28.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 95.7 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 20.2 m80 -135.61 -173.73 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -121.64 90.27 3.28 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.618 -179.351 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.89 1.29 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.744 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.829 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.8 tt0 -102.73 -56.07 2.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.223 0.535 . . . . 0.0 111.122 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.0 p90 -90.08 115.34 63.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.712 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 3.0 Cg_exo -76.83 104.22 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.393 1.396 . . . . 0.0 111.16 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.803 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -65.09 -31.54 72.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.56 -42.14 67.23 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.061 0.458 . . . . 0.0 110.1 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.84 -24.67 24.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.471 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.803 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 9.6 m-30 -88.34 9.8 22.06 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.72 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.72 160.83 14.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.997 0.427 . . . . 0.0 111.375 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -63.81 -14.76 55.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.922 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -48.28 -29.15 3.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.927 0.394 . . . . 0.0 111.042 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -173.9 65.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.2 t80 -139.47 129.34 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.221 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.64 -173.03 3.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.669 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.99 -63.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.975 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -63.63 -41.95 98.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -56.78 -40.96 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.29 -35.52 75.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.032 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.721 HG21 ' HB3' ' A' ' 99' ' ' CYS . 40.5 mm -55.81 -33.54 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 m -68.11 -52.65 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.399 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -71.88 -48.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.77 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 155' ' ' SER . 8.6 mp -57.38 -45.06 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HA ' HD13 ' A' ' 96' ' ' LEU . 16.1 t-160 -55.04 -50.58 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 117' ' ' ILE . 23.4 tp10 -68.83 -41.98 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.47 ' HA ' HG11 ' A' ' 120' ' ' VAL . 13.8 tmm? -58.31 -48.52 80.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 93' ' ' LEU . 34.5 mm -69.23 -36.99 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.8 tt0 -65.05 -38.11 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.75 -41.89 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.487 HG22 ' CE2' ' A' ' 85' ' ' PHE . 33.6 m -60.1 -33.68 72.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' LEU . 61.3 t80 -64.33 -47.69 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.59 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.914 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 11.1 tp -58.11 -58.82 6.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.731 0.301 . . . . 0.0 111.527 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.655 ' HB3' HD11 ' A' ' 82' ' ' LEU . 54.0 m-85 -78.09 -39.35 41.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 t -61.24 -12.07 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.543 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 -75.15 0.36 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.775 0.322 . . . . 0.0 110.938 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.2 -45.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -46.78 -69.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -69.41 -23.58 63.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.831 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -55.55 -41.38 73.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.911 0.386 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -5.16 47.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.16 -39.18 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.217 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 145' ' ' ARG . 0.9 OUTLIER -122.47 150.71 42.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.53 152.97 4.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -32.49 63.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.198 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -68.71 -51.08 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.688 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -70.64 -38.21 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.049 0.452 . . . . 0.0 110.532 179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -68.06 -46.43 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.93 -31.54 69.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.1 mt-10 -70.06 -32.14 70.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.68 -41.84 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.3 m-85 -55.25 -51.29 67.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 84' ' ' GLU . 3.6 mt -62.83 -37.31 78.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.408 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 2.7 tp10 -58.56 -48.64 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 85' ' ' PHE . 35.7 mt -71.2 -45.36 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.327 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.46 -37.14 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.78 -46.83 80.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.54 -30.66 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -59.56 -46.43 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -58.64 -44.67 90.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.35 -44.36 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' HIS . 5.0 mt -72.75 -42.93 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.03 -35.47 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -27.23 69.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.721 ' HB3' HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -85.75 -28.9 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.98 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.965 HG13 HG21 ' A' ' 107' ' ' ILE . 38.2 t -63.93 -51.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.63 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.65 61.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.63 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -67.37 -43.89 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 148.72 -33.81 1.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 107' ' ' ILE . 14.9 p -80.02 -32.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.965 HG21 HG13 ' A' ' 100' ' ' VAL . 8.4 mt -100.03 41.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.49 -45.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.6 t -70.63 118.45 64.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 -31.73 77.61 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.424 2.083 . . . . 0.0 112.318 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.76 -52.3 52.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.25 55.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.411 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -64.43 -49.54 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 3.9 mt-10 -57.84 -52.91 63.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.55 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.3 -41.92 90.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.857 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 78.8 p -76.84 -50.84 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 113' ' ' TYR . 1.1 mm -68.0 -49.5 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -57.55 -32.11 66.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.4 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.47 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.7 t -82.42 -47.23 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.2 -44.51 83.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -45.69 79.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.729 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -73.26 -45.62 54.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.582 179.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.914 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 10.8 t80 -50.6 -31.33 15.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.079 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.63 -34.02 75.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -60.65 -46.61 89.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.829 HD11 ' CB ' ' A' ' 37' ' ' GLU . 49.3 mt -54.67 -43.62 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.03 -34.4 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -54.53 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 141' ' ' TRP . 7.0 mp -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.1 m -57.48 -33.89 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.4 -32.73 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 -4.84 36.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.34 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 29.66 17.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 56.21 66.1 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.1 t -72.5 -68.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 24' ' ' ILE . 10.4 p -176.57 -48.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -73.01 -32.09 64.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.86 75.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 131' ' ' LEU . 9.0 m95 -73.92 -34.27 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.989 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -63.77 -50.56 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.568 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 139' ' ' CYS . 0.8 OUTLIER -60.79 -44.32 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.409 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.724 HG11 HG23 ' A' ' 127' ' ' ILE . 30.6 m -66.95 -44.89 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.274 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.504 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.13 -52.33 19.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.566 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.44 -29.78 59.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.031 0.443 . . . . 0.0 110.817 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.1 mm-40 -69.83 -35.46 74.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.003 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.9 mt -46.75 -29.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.472 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.735 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.0 ptt? -56.92 -35.31 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.506 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 14.6 tpp180 -68.21 -39.52 82.38 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.86 -35.38 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.299 . . . . 0.0 110.954 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.629 ' HZ ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -95.62 -46.74 6.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.92 0.39 . . . . 0.0 110.533 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 39.9 t -48.36 -65.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.786 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 155' ' ' SER . 1.5 pp -55.07 -40.85 70.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.682 0.277 . . . . 0.0 111.11 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.785 ' N ' HD12 ' A' ' 154' ' ' LEU . 40.3 t -51.18 -23.87 3.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 152' ' ' PHE . 24.3 mt -72.5 -59.62 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -83.21 -33.26 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.513 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.538 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.77 -35.35 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.896 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -59.78 -35.74 75.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -67.92 -23.6 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 162' ' ' LEU . 6.9 ttt180 70.81 -62.57 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER 69.91 70.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 78.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.7 t -125.28 5.19 7.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 111.605 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 56.16 44.96 24.24 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.94 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.14 147.74 32.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 19.1 tp 59.25 64.42 3.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 3' ' ' LEU . 23.7 Cg_exo -63.95 146.46 91.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.614 2.209 . . . . 0.0 112.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -119.79 -59.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.44 123.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -148.5 109.67 4.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.76 172.75 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.11 -69.71 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 -162.31 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -92.43 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 49.34 38.98 15.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.223 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.71 -50.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.21 -26.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -34.45 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.058 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.37 -35.91 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.9 tp -60.34 -46.62 89.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.572 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 21' ' ' MET . 2.5 mp -66.91 -29.84 69.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.76 -30.5 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.32 -12.02 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.815 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.676 ' HE1' HD23 ' A' ' 18' ' ' LEU . 1.5 ptt? -89.89 38.88 0.94 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.855 0.359 . . . . 0.0 110.893 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -13.04 23.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -68.7 -10.75 58.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 tt -98.35 146.93 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.706 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 132.56 38.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.73 51.41 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.459 2.106 . . . . 0.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -80.33 -4.1 52.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -67.71 -29.29 68.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 30' ' ' LEU . 5.5 p -146.51 145.38 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.1 mm? -127.24 -59.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -73.45 -7.51 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.61 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.83 ' O ' HG11 ' A' ' 143' ' ' VAL . 22.5 m-20 -93.19 27.95 2.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 111.391 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -106.62 93.55 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -140.25 -179.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 2.9 p30 -121.92 88.27 2.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.812 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.85 1.08 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.525 179.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.662 ' CB ' HD11 ' A' ' 127' ' ' ILE . 5.5 tt0 -98.43 -58.63 1.92 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.262 0.553 . . . . 0.0 110.956 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 7.8 p90 -88.41 111.62 44.76 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.021 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 12.3 Cg_exo -70.99 104.73 1.56 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.274 1.316 . . . . 0.0 110.26 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 2.9 mp0 -65.01 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.491 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.24 -41.28 65.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.021 0.439 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 56' ' ' VAL . 44.5 mm-40 -86.41 -28.81 23.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.17 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.5 m-30 -87.32 11.02 15.4 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.117 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -89.09 135.24 33.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 158' ' ' LEU . 3.7 p30 -79.96 4.14 17.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.652 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -72.63 -9.08 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.592 0.234 . . . . 0.0 111.461 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -179.26 64.39 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -158.77 144.7 16.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.977 -177.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.32 -179.43 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.399 . . . . 0.0 111.575 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 159' ' ' GLN . 22.5 pttt -61.87 -55.08 33.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -59.59 -43.62 93.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.038 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.5 mm-40 -58.72 -40.95 85.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.679 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -60.12 -32.67 71.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' HD11 ' A' ' 107' ' ' ILE . 37.5 mm -56.95 -33.45 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 p -67.62 -53.69 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.417 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 42' ' ' GLU . 24.4 t -69.81 -44.54 78.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.85 0.357 . . . . 0.0 111.237 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 155' ' ' SER . 3.2 mp -52.32 -45.44 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.846 ' CB ' HD13 ' A' ' 96' ' ' LEU . 37.1 t-80 -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.998 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.848 ' HG2' HG23 ' A' ' 117' ' ' ILE . 27.7 tp10 -68.21 -44.53 75.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.677 ' HA ' HG11 ' A' ' 120' ' ' VAL . 9.9 tpt -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 152' ' ' PHE . 40.2 mm -71.62 -46.12 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' A' ' 93' ' ' LEU . 4.2 tt0 -56.18 -43.94 78.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -64.8 -42.66 94.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.4 m -65.03 -38.6 91.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.76 -39.62 89.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -69.71 -29.13 66.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 124' ' ' PHE . 3.0 tp -57.92 -57.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.223 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' A' ' 82' ' ' LEU . 96.8 m-85 -77.56 -36.53 52.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 34.4 t -61.84 -14.48 33.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.3 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -72.2 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.02 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -47.46 -68.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -68.09 -23.77 64.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 t -56.54 -37.84 71.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.5 -5.28 46.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.501 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.27 -36.79 54.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 82' ' ' LEU . 8.4 mt -117.53 154.36 31.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.98 149.77 26.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.708 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.51 -34.38 49.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.205 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 m -68.18 -50.7 52.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.34 -36.19 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.568 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.46 -38.59 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.622 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -61.6 -45.17 95.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.254 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.74 -28.78 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.398 0.618 . . . . 0.0 109.383 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.93 ' CD2' HD21 ' A' ' 17' ' ' LEU . 2.1 t80 -58.29 -37.89 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.701 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.1 m-30 -64.65 -51.34 63.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.67 -35.04 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.525 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -44.81 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.27 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 9.0 mt -81.77 -32.0 31.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.562 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.39 -27.89 69.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.982 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -69.91 -38.88 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.635 0.255 . . . . 0.0 111.456 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -28.85 63.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.416 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.11 -44.92 75.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.292 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -64.17 -27.21 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.33 -33.93 14.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.633 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.6 tt -86.5 -48.95 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.037 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 tm-20 -55.41 -35.68 65.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 -6.97 58.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.556 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.97 -30.37 7.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 96' ' ' LEU . 26.5 t -61.29 -44.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 ttt -60.63 -28.67 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -20.34 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.231 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 67.27 38.8 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' A' ' 106' ' ' VAL . 3.1 p -60.94 -29.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.43 -26.5 24.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.721 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 51' ' ' ALA . 14.9 p -72.08 -28.87 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 111.307 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 106' ' ' VAL . 24.3 mt -111.68 46.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -135.79 -46.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.2 t -57.79 117.22 17.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.6 -34.03 88.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.71 -52.44 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 52.1 mtt -59.62 -21.2 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.1 m-85 -74.77 -38.46 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.4 mm-40 -71.59 -53.0 15.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.881 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.14 -41.89 89.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.504 ' HB2' HG22 ' A' ' 56' ' ' VAL . 4.6 p -76.73 -51.09 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.848 HG23 ' HG2' ' A' ' 59' ' ' GLU . 17.9 mt -68.19 -42.41 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.1 tm? -55.8 -31.79 62.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.602 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.7 -33.21 73.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 60' ' ' MET . 11.4 t -82.57 -47.88 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' CD ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -61.75 -35.0 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.7 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.76 -35.74 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -73.25 -47.6 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.56 -26.25 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.677 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.53 -34.08 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.27 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -64.81 -42.52 94.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 ' CB ' ' A' ' 37' ' ' GLU . 48.6 mt -57.82 -44.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -47.97 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.6 tp -72.83 -34.63 66.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.64 -53.46 55.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.07 -34.19 77.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.159 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.3 m -56.61 -35.08 67.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.36 -31.61 71.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -97.81 -4.94 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.383 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.86 30.88 19.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 57.99 67.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.0 t -70.29 -75.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 m -172.58 -47.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.19 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.16 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.436 ' HA ' HG22 ' A' ' 144' ' ' VAL . 7.2 m95 -73.37 -34.23 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.48 -50.51 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.3 m -59.98 -48.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.61 HG11 HG23 ' A' ' 127' ' ' ILE . 35.3 m -66.73 -47.61 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.309 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.516 ' N ' HG23 ' A' ' 144' ' ' VAL . 17.3 mtm105 -66.92 -52.21 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.03 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm-40 -57.98 -36.25 72.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 144' ' ' VAL . 63.9 mt -47.43 -29.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.226 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 14.8 ptp -56.45 -39.32 72.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.51 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 20.1 tpt180 -59.47 -49.05 79.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -58.07 -35.16 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 1.1 m-85 -76.4 -24.06 54.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.97 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.9 t -82.47 -62.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -63.77 -32.62 74.19 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.702 -178.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 77.9 p -55.12 -47.03 75.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.981 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.71 57.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.88 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 154' ' ' LEU . 3.9 pp -58.75 -35.61 73.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -71.88 -35.78 69.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.969 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -27.76 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.01 170.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.81 -35.44 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 -173.93 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.5 t -118.0 3.85 12.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 111.437 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 54.76 46.07 25.37 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.956 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.865 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -79.68 131.36 35.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.739 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -159.89 -65.35 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.582 ' HD3' HD12 ' A' ' 3' ' ' LEU . 19.6 Cg_endo -60.1 122.84 12.02 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.427 2.085 . . . . 0.0 112.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 6' ' ' THR . 15.0 mt-30 -108.07 -55.39 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -167.78 34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -155.35 83.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -177.31 102.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.7 34.56 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.88 -177.66 43.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.608 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.678 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -96.72 -9.18 29.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.539 0.209 . . . . 0.0 111.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -46.29 102.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.878 0.37 . . . . 0.0 111.346 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.69 -56.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.19 -21.0 10.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.617 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.818 HD22 ' SD ' ' A' ' 149' ' ' MET . 16.2 mt -54.23 -30.41 50.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -59.74 -46.14 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.2 tp -58.93 -39.88 82.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -30.48 71.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.53 -31.22 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.303 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.6 -15.53 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.561 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.4 tpt -91.42 38.85 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -13.38 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.438 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -68.92 -11.75 60.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.0 tt -81.48 164.57 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 110.804 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -102.66 125.98 34.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.733 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.3 -16.71 48.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.42 2.08 . . . . 0.0 112.135 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -83.3 -0.63 50.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -67.66 -25.71 65.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.717 0.294 . . . . 0.0 111.024 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.1 p -155.05 158.65 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 29' ' ' CYS . 6.7 mp -135.67 -65.19 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.69 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.606 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.774 ' O ' HG11 ' A' ' 143' ' ' VAL . 65.5 m-20 -91.25 27.94 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.621 0.248 . . . . 0.0 111.388 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.01 84.39 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -120.01 172.3 7.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -121.73 88.45 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.864 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.91 -0.85 18.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.367 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 127' ' ' ILE . 4.7 tm-20 -85.33 -63.11 1.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.857 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -92.39 118.34 68.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 123' ' ' TYR . 5.7 Cg_exo -76.72 102.67 1.64 Allowed 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 120.464 0.776 . . . . 0.0 110.407 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -39.83 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.77 -25.27 40.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.652 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' HG21 ' A' ' 56' ' ' VAL . 3.0 mm-40 -85.93 -40.92 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.77 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.955 ' CZ ' HD13 ' A' ' 57' ' ' LEU . 1.3 m-85 -87.64 -25.39 23.56 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -37.97 134.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -69.24 4.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -57.96 -26.21 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 178.97 74.39 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 3.4 t80 -164.73 151.14 10.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.9 -177.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -133.33 -175.42 3.8 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.133 0.492 . . . . 0.0 112.007 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.73 -60.99 2.83 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.231 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.617 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -53.04 -35.53 59.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.767 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 106' ' ' VAL . 9.0 mt-30 -68.7 -40.67 79.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.898 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.666 ' HB1' ' CE2' ' A' ' 43' ' ' PHE . . . -57.92 -36.41 72.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.95 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 99' ' ' CYS . 45.8 mm -55.72 -33.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -47.3 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.798 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.667 HG22 ' OG ' ' A' ' 116' ' ' SER . 31.9 t -71.88 -49.54 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.955 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -52.65 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -54.95 -49.8 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.005 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.63 -33.5 74.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 tpp -54.54 -48.51 71.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.716 HG21 HD12 ' A' ' 93' ' ' LEU . 40.0 mm -57.77 -37.45 59.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.029 0.442 . . . . 0.0 110.156 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.06 -35.38 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.815 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.54 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.9 m -82.47 -45.05 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CA ' HD13 ' A' ' 89' ' ' LEU . 38.8 t80 -59.99 -47.87 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -65.62 -29.24 69.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 8.8 tp -58.0 -58.47 8.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.348 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HD21 ' A' ' 82' ' ' LEU . 36.7 m-85 -77.61 -39.98 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 t -57.1 -17.53 10.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.301 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -80.04 3.36 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.7 tttp 82.86 -47.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.613 0.244 . . . . 0.0 111.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.36 -26.28 67.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -56.45 -39.83 73.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.06 -5.83 48.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.357 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.41 -36.82 52.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.813 HD23 HD12 ' A' ' 81' ' ' LEU . 2.3 mp -112.53 161.41 16.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.05 144.28 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.19 -34.42 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -68.14 -50.85 52.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.813 HD12 HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -70.47 -36.47 73.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.8 tm? -68.09 -49.95 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.725 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.63 -29.78 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.13 -32.12 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.297 0.57 . . . . 0.0 109.674 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.456 ' CG ' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.0 -47.03 86.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.828 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.9 m-85 -53.09 -35.49 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.97 -34.47 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -50.7 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 65' ' ' PHE . 14.2 mt -62.0 -44.24 97.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.42 -32.6 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.46 -34.45 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -55.72 -43.56 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.033 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.34 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 54' ' ' ILE . 4.3 mm? -59.54 -50.62 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -35.49 65.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.044 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -62.72 -31.0 71.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.668 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.4 m -78.97 -32.52 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG13 HG12 ' A' ' 107' ' ' ILE . 32.1 t -67.11 -46.38 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.9 ttt -70.81 -23.63 62.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 2.1 tm0? -68.66 -12.32 61.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 5.6 pt-20 49.22 42.83 22.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.084 0.469 . . . . 0.0 110.963 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.4 ' H ' HG13 ' A' ' 104' ' ' VAL . 1.3 m -46.18 -39.08 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.07 -28.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.461 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.877 HG21 ' HA ' ' A' ' 52' ' ' GLN . 12.1 p -73.96 -23.65 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.277 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.499 HG12 HG13 ' A' ' 100' ' ' VAL . 1.5 mp -92.66 45.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.35 -32.94 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.313 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.4 t -93.66 112.59 57.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.069 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.67 -45.97 2.97 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.296 1.997 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.28 -43.99 95.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.7 mtt -58.75 -25.2 62.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -72.35 -33.07 67.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.45 -40.65 68.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.475 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 3.5 t70 -68.86 -42.2 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.74 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.667 ' OG ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -76.9 -46.44 24.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 111.476 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CD2' ' A' ' 113' ' ' TYR . 1.5 mm -67.68 -49.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.693 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.812 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -65.76 -30.6 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.974 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -54.87 -38.52 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.44 -32.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.047 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -45.86 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.452 ' HB2' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 110.294 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -61.27 -40.96 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.119 179.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.77 -38.98 57.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.311 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.62 -33.92 73.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.731 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -69.13 -48.47 62.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.869 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.3 mt -60.32 -44.72 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.2 m -64.89 -47.71 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -69.02 -38.57 79.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -61.0 -50.74 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 141' ' ' TRP . 6.5 mp -65.05 -35.15 80.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.275 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -56.0 -33.08 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -95.84 -5.03 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.441 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 28.91 18.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 59.39 61.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.6 t -65.97 -70.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -45.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -33.02 58.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.69 -40.19 68.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.814 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 6.0 m95 -73.43 -34.24 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.293 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.519 ' HG3' HG21 ' A' ' 24' ' ' ILE . 10.6 tm-20 -66.45 -48.96 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.9 m -58.04 -45.54 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.652 HG11 HG23 ' A' ' 127' ' ' ILE . 29.1 m -70.33 -43.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.035 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.453 ' N ' HG23 ' A' ' 144' ' ' VAL . 16.5 mtm-85 -66.4 -40.08 89.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.36 -31.76 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 3.0 tp10 -67.33 -37.41 83.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.59 -32.58 4.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.818 ' SD ' HD22 ' A' ' 15' ' ' LEU . 5.5 tpt -59.03 -43.44 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.173 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 tpt85 -66.67 -39.3 88.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.245 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -59.09 -35.07 72.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.992 179.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.68 -24.06 36.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.792 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.0 p -70.93 -61.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.646 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.2 OUTLIER -64.92 -32.8 74.69 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.917 ' HB3' HD11 ' A' ' 57' ' ' LEU . 33.1 p -50.74 -55.25 17.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.524 HD11 ' OD1' ' A' ' 11' ' ' ASN . 1.3 pp -95.14 46.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.296 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -156.83 -44.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -61.28 -35.58 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 50' ' ' LYS . 67.8 mt-30 -62.81 -37.23 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.917 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -56.49 -47.51 79.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.797 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.13 46.35 3.71 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.427 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -40.07 57.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -97.26 175.39 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 26.1 t -130.58 6.04 4.75 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.667 0.746 . . . . 0.0 111.643 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 59.27 43.23 17.16 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.907 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.882 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.72 144.63 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.29 102.85 35.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.59 116.81 2.53 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.496 2.131 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 60.75 100.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -161.88 136.96 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -110.1 -31.75 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -66.32 112.71 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 9' ' ' LEU . 5.4 tp -85.32 -30.49 23.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 156' ' ' ILE . . . -62.44 154.07 42.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -108.91 -36.71 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.046 0.45 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.3 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -53.02 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.72 -17.06 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 -31.62 53.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -70.7 -45.95 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.87 HD21 ' CD2' ' A' ' 85' ' ' PHE . 11.3 tp -58.26 -46.64 85.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.3 mm? -66.96 -37.85 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -30.86 63.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.478 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.881 ' HG3' HD21 ' A' ' 81' ' ' LEU . 14.2 mm-40 -60.53 -10.29 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 38.25 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.752 0.311 . . . . 0.0 111.11 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -13.57 16.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.372 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -69.09 -12.17 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.559 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.701 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.5 tt -78.84 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.676 0.274 . . . . 0.0 110.816 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -103.33 121.95 46.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.648 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.59 -16.48 43.04 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.402 2.068 . . . . 0.0 112.199 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.83 -0.51 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.547 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -67.68 -48.9 65.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.762 0.315 . . . . 0.0 111.004 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 30' ' ' LEU . 24.4 p -139.18 155.77 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 29' ' ' CYS . 7.7 mp -132.97 -52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -75.52 -7.09 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 143' ' ' VAL . 76.8 m-20 -84.97 11.16 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.671 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 78.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 11.8 m170 -126.64 155.0 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.62 93.0 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.58 -0.94 18.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.18 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' HD11 ' A' ' 127' ' ' ILE . 2.4 tm-20 -81.94 -65.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.699 0.285 . . . . 0.0 111.486 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.928 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -91.12 111.39 48.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 13.0 Cg_exo -69.44 101.64 0.89 Allowed 'Trans proline' 0 N--CA 1.45 -1.059 0 N-CA-C 109.871 -0.857 . . . . 0.0 109.871 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 tt0 -65.0 -31.88 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.77 -42.51 68.33 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.48 -27.03 22.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.82 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 4.8 m-30 -86.18 -3.24 58.92 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.481 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLN . 22.5 t0 -88.32 161.52 17.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 111.269 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.63 -12.81 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.923 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -48.2 -29.22 3.53 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.965 0.412 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.98 66.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.81 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.755 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.7 t80 -137.49 135.54 36.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.124 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -142.47 -177.24 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.752 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -50.58 73.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.834 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.555 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -68.41 -44.06 75.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tm0? -56.67 -40.85 76.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.64 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -56.88 -41.55 78.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.128 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.0 mm -55.69 -39.91 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.8 p -68.19 -47.57 67.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.353 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.93 -49.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.846 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 155' ' ' SER . 7.4 mp -56.7 -45.77 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.731 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.814 ' HA ' HD13 ' A' ' 96' ' ' LEU . 12.7 t-160 -54.92 -49.94 70.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.734 0.302 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' HD13 ' A' ' 117' ' ' ILE . 53.6 mm-40 -68.45 -34.47 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.548 ' HA ' HG11 ' A' ' 120' ' ' VAL . 7.4 tpt -68.31 -48.53 64.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 89' ' ' LEU . 30.0 mm -68.79 -42.69 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.66 -41.1 85.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 124' ' ' PHE . 1.2 tp-100 -69.84 -44.72 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -63.41 -34.75 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.62 -42.41 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -67.31 -29.0 68.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.515 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -58.03 -58.64 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.571 -179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 81.1 m-85 -78.06 -39.8 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.025 0.44 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -57.08 -15.72 5.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.449 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.34 -72.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.782 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' THR . 52.0 tttm 169.96 -41.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.806 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -50.63 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.617 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 3.3 m -68.52 -25.9 65.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.162 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.3 t -55.85 -40.0 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -5.34 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.396 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.21 -36.93 54.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.53 162.6 15.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.36 144.23 42.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.57 -40.52 65.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.3 m -64.05 -49.03 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.21 -36.13 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -67.41 -38.69 85.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.07 -47.3 80.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 87' ' ' ILE . 1.9 mt-10 -66.5 -29.5 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.87 ' CD2' HD21 ' A' ' 17' ' ' LEU . 6.8 t80 -58.96 -38.04 78.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.59 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.4 m-30 -61.36 -51.25 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.979 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.5 mt -61.12 -34.55 60.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.571 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -47.32 82.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.312 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 85' ' ' PHE . 3.4 mt -79.03 -35.98 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.427 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.78 -33.98 76.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -30.47 66.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.47 -44.4 89.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.098 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -27.49 67.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 ' HA ' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -96.71 -44.18 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.42 -35.65 65.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.4 p -62.82 -28.85 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.048 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.55 ' HB2' HG21 ' A' ' 54' ' ' ILE . 2.1 m -74.52 -28.49 61.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.836 ' HA ' HD13 ' A' ' 107' ' ' ILE . 28.9 t -66.67 -40.77 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -39.67 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -27.94 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.22 63.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' HG12 ' A' ' 106' ' ' VAL . 1.1 m -69.05 -42.9 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.748 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.7 -39.47 1.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.745 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.3 p -60.09 -26.55 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.8 mp -96.06 39.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -119.11 -33.62 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.264 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 112.6 63.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.2 -36.35 47.18 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.514 2.143 . . . . 0.0 112.175 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.42 -51.53 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.5 mtm -59.93 -24.13 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.492 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -72.08 -43.84 64.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 -40.86 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.0 t0 -68.83 -42.11 77.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.609 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' VAL . 1.9 t -76.65 -43.75 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.317 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.7 mm -67.61 -49.25 72.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.388 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.786 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -67.55 -33.08 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' ASP . . . -57.06 -33.22 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.212 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 60' ' ' MET . 24.3 t -82.18 -41.39 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -62.43 -45.76 91.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -58.85 -48.2 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.973 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.24 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.7 t80 -56.13 -41.67 75.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.83 -36.15 82.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -59.35 -34.24 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.862 HG21 HG21 ' A' ' 144' ' ' VAL . 37.3 mt -69.49 -43.48 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -47.68 82.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.61 -35.29 75.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -63.16 -55.13 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.2 mp -59.55 -32.68 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.3 m -55.76 -38.07 69.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.801 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -68.46 -32.42 72.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.626 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -93.29 -5.07 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.136 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 31.73 14.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.778 0.323 . . . . 0.0 111.002 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 17.3 m-85 57.4 59.78 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.763 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -64.79 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.52 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HB2' ' HG2' ' A' ' 134' ' ' LYS . . . -54.75 -39.12 68.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.453 ' CE3' HD21 ' A' ' 131' ' ' LEU . 11.8 m95 -73.58 -34.02 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 24' ' ' ILE . 46.2 tt0 -60.72 -50.37 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.407 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 32' ' ' ASP . 16.0 m -59.52 -45.67 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.615 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 127' ' ' ILE . 6.6 p -66.14 -45.3 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.254 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 142' ' ' GLU . 8.0 ptp180 -67.43 -40.09 85.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.33 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.78 -35.66 75.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.827 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.704 ' HB ' HD11 ' A' ' 18' ' ' LEU . 69.4 mt -48.58 -32.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.485 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 4.9 ptp -65.51 -35.63 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.5 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.15 -36.16 74.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.162 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 38' ' ' PHE . 1.3 p -58.62 -41.32 85.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 153' ' ' SER . 0.3 OUTLIER -89.03 -42.71 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.467 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 152' ' ' PHE . 11.7 m -48.69 -54.26 15.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 155' ' ' SER . 4.1 pp -68.56 -42.53 78.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.634 0.254 . . . . 0.0 111.356 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.825 ' N ' HD12 ' A' ' 154' ' ' LEU . 84.3 p -53.74 -21.08 6.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.457 HD12 ' HA2' ' A' ' 10' ' ' GLY . 4.8 pt -102.04 43.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.08 -32.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.563 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.36 -35.35 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.62 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.66 -39.95 71.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -32.65 68.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.92 135.57 41.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.76 160.46 40.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.74 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.39 163.2 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' ' HD3' ' A' ' 165' ' ' LYS . 7.5 t -121.7 -123.54 0.27 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.488 ' HD3' ' OG ' ' A' ' 164' ' ' SER . 0.0 OUTLIER -112.79 38.21 2.86 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.845 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.32 162.2 27.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 112.19 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.174 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.94 37.13 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER 61.53 -171.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' H ' HG22 ' A' ' 6' ' ' THR . 42.8 p-80 -105.16 -49.1 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 51.94 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.05 86.99 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -147.78 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.361 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.513 ' HB2' HD13 ' A' ' 156' ' ' ILE . 52.1 t30 -110.55 -34.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 46.14 33.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -48.05 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.02 -18.74 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.455 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.68 -43.87 76.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 mm -62.76 -34.95 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 15.3 tp -61.78 -44.3 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -66.6 -30.33 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.3 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.443 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -13.34 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.817 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.67 39.49 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.171 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -13.28 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt85 -69.18 -11.14 60.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG21 ' CD ' ' A' ' 142' ' ' GLU . 1.7 tt -91.58 168.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.9 m -110.63 132.07 21.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.94 -16.67 56.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.45 2.1 . . . . 0.0 112.274 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.63 -5.63 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -67.76 -29.13 68.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.678 ' O ' HD12 ' A' ' 30' ' ' LEU . 12.7 p -148.15 158.86 44.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 29' ' ' CYS . 4.3 mp -141.28 -58.55 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -72.82 -8.11 53.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.581 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.602 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.9 OUTLIER -93.34 28.0 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.687 0.279 . . . . 0.0 111.345 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -94.98 88.02 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.327 . . . . 0.0 111.123 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -137.81 171.34 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.685 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HG2' ' A' ' 147' ' ' GLU . 12.0 p30 -121.74 94.25 4.25 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.49 -0.7 18.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.929 178.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.876 ' HA ' HD11 ' A' ' 127' ' ' ILE . 7.5 tp10 -80.32 -64.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.905 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -100.68 111.62 63.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.103 0.478 . . . . 0.0 111.805 -178.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 15.7 Cg_exo -67.55 102.57 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 N-CA-C 109.734 -0.91 . . . . 0.0 109.734 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.51 -27.57 69.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.373 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.56 -41.51 66.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.406 . . . . 0.0 110.717 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 8.7 mm-40 -86.37 -20.04 28.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.817 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HB3' HD22 ' A' ' 154' ' ' LEU . 26.6 m-85 -86.55 -25.31 25.1 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.084 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 39.5 t0 -62.19 157.12 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 0.0 111.059 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.758 ' HB3' HD21 ' A' ' 158' ' ' LEU . 12.6 p30 -81.26 3.89 22.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.802 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -20.4 56.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -151.45 148.34 27.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.114 -177.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -142.48 -172.95 3.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.028 0.442 . . . . 0.0 111.723 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 159' ' ' GLN . 8.7 ttpt -56.39 -64.46 0.86 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.63 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.889 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -58.56 -41.08 84.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.09 -40.95 77.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.6 -37.74 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 99' ' ' CYS . 40.9 mm -55.8 -33.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.9 p -68.08 -53.54 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.8 -48.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.327 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.9 mp -52.35 -46.01 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.607 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.813 ' HA ' HD13 ' A' ' 96' ' ' LEU . 17.8 t-160 -57.06 -49.92 74.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.46 -41.2 80.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.698 ' CE ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -56.38 -48.63 76.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.28 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.698 HD13 ' CE ' ' A' ' 60' ' ' MET . 28.9 mm -70.2 -41.27 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' HG3' HD21 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.23 -36.56 78.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.437 HE21 HG12 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -69.69 -47.31 63.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.814 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' HA ' HD13 ' A' ' 89' ' ' LEU . 16.4 t80 -61.44 -30.72 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.711 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' THR . 1.6 t30 -76.44 -28.91 56.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.262 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.859 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 tp -57.69 -58.09 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' HB3' HD21 ' A' ' 82' ' ' LEU . 91.3 m-85 -77.28 -42.88 35.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.872 0.368 . . . . 0.0 111.315 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.5 t -56.93 -19.77 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.901 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 67' ' ' LEU . 6.3 t -79.37 0.28 29.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.0 tttt 85.49 -27.88 0.08 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -58.45 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.462 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 1.1 m -67.79 -27.1 66.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 82' ' ' LEU . 1.1 t -56.32 -41.67 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.45 -17.43 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.296 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.85 46.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.327 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.881 HD23 HD12 ' A' ' 81' ' ' LEU . 4.8 mp -103.66 154.89 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -57.43 137.61 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.7 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.7 -31.51 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -71.14 -51.02 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD12 HD23 ' A' ' 77' ' ' LEU . 2.4 tm? -70.58 -36.13 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 74' ' ' SER . 0.7 OUTLIER -64.85 -40.11 94.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.901 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.43 -45.6 93.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.425 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.99 -29.23 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.9 t80 -58.64 -38.54 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.749 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.2 m-30 -63.35 -51.23 66.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -59.93 -34.52 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -45.25 93.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 65' ' ' PHE . 10.4 mt -79.76 -47.7 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.215 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -54.47 -29.69 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -37.57 72.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' HB3' HG21 ' A' ' 61' ' ' ILE . 36.7 tp60 -71.48 -33.77 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -58.56 -40.31 82.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -62.35 -32.02 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.4 -32.17 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 58' ' ' HIS . 2.9 mt -89.11 -39.44 13.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -35.42 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.7 t -62.72 -29.86 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.475 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.9 m -83.68 -23.38 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.022 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 107' ' ' ILE . 61.3 t -60.96 -51.92 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.75 -25.52 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.04 -28.09 55.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 64.96 59.31 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 110.627 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.889 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -68.44 -43.13 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.08 -32.55 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.28 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.551 HG11 ' O ' ' A' ' 51' ' ' ALA . 11.1 p -78.02 -21.44 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.702 0.287 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.89 HG23 ' OH ' ' A' ' 113' ' ' TYR . 2.8 mp -97.1 37.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 -37.03 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.262 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -84.04 112.78 43.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.065 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.45 -37.89 56.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.459 2.106 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.88 -52.26 65.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 88.3 mtp -57.6 -24.58 57.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.89 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -71.02 -47.18 60.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 18.1 mt-10 -61.64 -53.17 59.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.294 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.41 -41.92 90.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.692 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.3 p -76.63 -50.79 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.84 -43.0 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.825 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.2 tm? -55.97 -30.52 61.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.71 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.737 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 60' ' ' MET . 23.0 t -82.37 -44.99 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.868 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -60.32 -51.43 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.613 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -61.13 -41.3 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.428 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.8 t80 -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.971 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.22 -34.99 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.12 86.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.876 HD11 ' HA ' ' A' ' 37' ' ' GLU . 40.4 mt -56.88 -46.06 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 m -60.33 -47.82 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.97 -34.7 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.3 -53.35 57.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.449 HD23 ' CZ2' ' A' ' 141' ' ' TRP . 7.5 mp -65.06 -35.7 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -56.86 -35.74 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -31.69 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.833 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 32.9 ttmt -97.57 -5.1 36.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.398 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 30.01 19.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 20.5 m-85 59.43 68.61 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.1 t -70.97 -76.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.65 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.71 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.833 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -54.71 -39.54 68.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.658 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.455 ' HA ' HG22 ' A' ' 144' ' ' VAL . 21.8 m95 -73.58 -33.98 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.52 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 24' ' ' ILE . 35.6 tt0 -66.64 -36.4 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.385 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 32' ' ' ASP . 4.6 m -73.34 -42.26 57.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 111.209 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.75 HG11 HG23 ' A' ' 127' ' ' ILE . 27.2 m -70.19 -45.38 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.164 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.736 ' O ' HD21 ' A' ' 18' ' ' LEU . 7.3 ppt_? -63.48 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.31 -32.65 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.7 mt-10 -67.01 -35.72 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.0 mt -54.41 -32.22 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 18' ' ' LEU . 32.9 tpp -57.77 -47.28 82.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.692 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 tpt180 -65.67 -39.03 90.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.637 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.58 -35.16 71.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.572 179.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.81 -27.0 36.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.648 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.4 m -69.71 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -64.46 -32.74 74.5 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.713 ' H ' HD12 ' A' ' 154' ' ' LEU . 51.6 p -57.35 -37.06 71.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 11' ' ' ASN . 22.3 mt -107.98 53.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -175.26 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 45' ' ' ASP . 2.7 tm? -60.98 -38.96 87.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 50' ' ' LYS . 2.1 pt20 -55.48 -38.08 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -43.97 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.772 ' HD2' HD12 ' A' ' 162' ' ' LEU . 0.0 OUTLIER 60.01 162.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.772 HD12 ' HD2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 60.22 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 154.14 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.75 116.54 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 121.598 0.713 . . . . 0.0 109.469 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 35.59 2.63 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.711 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.68 133.93 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -178.37 -52.65 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 3' ' ' LEU . 13.3 Cg_exo -69.55 -164.82 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.606 2.204 . . . . 0.0 112.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -109.17 -31.29 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 p -130.08 149.32 51.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -88.2 -29.36 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.57 87.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.78 94.22 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.35 159.62 51.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -80.09 -78.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.974 0.416 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER 55.86 36.43 27.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.095 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -38.41 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -93.38 -26.4 17.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.16 -30.05 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -67.38 -47.76 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.734 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -60.17 -34.95 74.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.028 -179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -66.85 -33.48 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -19.53 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.302 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.93 36.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.761 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -103.35 -13.6 16.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.584 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -69.28 -11.23 60.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.712 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 138' ' ' SER . 2.4 tt -62.75 167.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.604 0.24 . . . . 0.0 110.808 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 118.98 57.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.611 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.83 -16.33 37.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.379 2.053 . . . . 0.0 112.273 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.9 -3.35 47.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.624 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -28.67 67.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.1 p -160.14 159.91 32.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.0 mp -134.61 -61.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -5.02 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.701 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.616 ' O ' HG11 ' A' ' 143' ' ' VAL . 58.8 m-20 -87.47 28.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.73 93.16 4.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -129.79 -176.6 3.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -121.76 86.79 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.634 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -110.08 1.06 18.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.497 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.4 tp10 -95.26 -61.31 1.5 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.296 0.57 . . . . 0.0 110.572 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 8.8 p90 -86.1 111.7 40.3 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 20.4 Cg_exo -66.94 104.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 121.266 1.311 . . . . 0.0 111.124 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -65.56 -34.95 79.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.319 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.51 -42.18 67.09 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.123 0.487 . . . . 0.0 109.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' HG21 ' A' ' 56' ' ' VAL . 5.8 mm-40 -86.85 -24.94 24.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 13.4 m-30 -93.01 18.12 9.69 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.588 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 16.0 t70 -98.68 147.43 24.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.419 . . . . 0.0 111.133 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.24 -7.68 14.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -48.01 -28.49 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -170.79 41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.17 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 6.8 t80 -100.92 126.84 47.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.367 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 52' ' ' GLN . 6.4 pt20 -142.49 -173.12 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.656 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -60.68 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.96 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -63.95 -44.85 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.863 ' HA ' HG21 ' A' ' 106' ' ' VAL . 10.4 mm-40 -56.46 -40.88 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.782 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -58.76 -40.93 85.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 40.7 mm -55.68 -33.28 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 m -68.14 -53.8 22.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 42' ' ' GLU . 18.5 t -72.08 -46.9 57.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 111.574 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 155' ' ' SER . 1.8 mp -52.11 -45.8 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.763 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -57.68 -50.04 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.434 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.586 ' HG2' HD13 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -68.37 -33.39 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.441 ' HA ' HG11 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -68.36 -48.49 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.589 HG23 HD22 ' A' ' 89' ' ' LEU . 31.1 mm -70.14 -40.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.474 ' HA ' HD11 ' A' ' 93' ' ' LEU . 5.4 tt0 -60.03 -36.59 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -68.08 -42.65 80.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.3 m -59.68 -36.13 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.78 -44.81 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -69.02 -29.1 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.523 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 141' ' ' TRP . 5.4 tp -57.9 -58.5 8.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.517 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 82' ' ' LEU . 85.5 m-85 -77.86 -42.55 33.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 t -57.07 -17.27 9.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.373 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -77.84 1.47 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' THR . 8.9 tttp 82.58 -50.09 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.69 0.281 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -69.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.479 ' HG ' ' HH2' ' A' ' 141' ' ' TRP . 16.9 m -65.2 -29.72 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -37.32 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.703 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.03 -12.86 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.316 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.79 55.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HD23 ' A' ' 82' ' ' LEU . 7.8 mp -109.58 149.92 28.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.21 143.85 10.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.51 -34.01 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.124 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -69.38 -50.82 42.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 17' ' ' LEU . 1.9 tm? -70.52 -37.32 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.3 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -59.63 -34.45 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.2 mt-10 -70.0 -30.15 67.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 110.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.6 t80 -59.03 -42.73 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.817 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 21.5 m-85 -57.21 -51.26 70.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 84' ' ' GLU . 4.1 mt -61.91 -34.61 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.308 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -50.7 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 85' ' ' PHE . 38.4 mt -66.93 -46.81 73.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.283 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -55.02 -43.39 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.106 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.56 -47.27 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.5 tp60 -71.57 -32.03 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -61.04 -36.97 80.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.054 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.68 -50.36 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -33.46 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 57' ' ' LEU . 8.0 mp -79.73 -50.5 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -55.38 -35.56 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.75 -30.5 71.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.054 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 44.2 m -76.55 -27.05 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.041 HG13 HG21 ' A' ' 107' ' ' ILE . 39.7 t -64.02 -51.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -21.48 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.56 -21.35 52.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 66.35 43.83 2.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 106' ' ' VAL . 4.7 p -58.01 -27.24 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.62 -42.02 1.76 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.659 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.8 p -69.26 -29.85 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.041 HG21 HG13 ' A' ' 100' ' ' VAL . 9.1 mt -101.14 43.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.54 -45.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -62.37 115.82 18.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.6 -32.82 95.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.472 2.114 . . . . 0.0 112.392 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.32 -52.36 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.8 mtt -63.07 -22.56 66.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -65.7 -49.74 67.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -58.82 -49.32 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.334 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.75 -35.47 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.879 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 t -76.67 -50.69 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.737 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 59' ' ' GLU . 1.2 mm -67.96 -48.81 73.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.789 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 118' ' ' LEU . 3.4 tm? -56.0 -34.26 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.306 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.93 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.462 HG22 ' HG2' ' A' ' 39' ' ' PRO . 18.2 t -82.42 -39.12 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.337 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.5 -45.7 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.47 -51.45 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.215 -179.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -61.08 -47.19 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 25.5 t80 -52.36 -31.06 31.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.43 74.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -60.31 -42.19 95.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 37' ' ' GLU . 62.8 mt -57.12 -47.45 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m -60.39 -47.72 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.9 tp -68.85 -36.44 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.754 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -62.01 -54.33 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 140' ' ' ALA . 5.3 mp -59.86 -32.65 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -55.75 -32.67 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.755 ' HG3' ' HB2' ' A' ' 140' ' ' ALA . 58.6 mmtt -102.77 -5.04 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 27.79 17.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 0.0 110.487 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 70.16 46.72 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.7 t -59.37 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 24' ' ' ILE . 59.7 p -174.44 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -45.2 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.755 ' HB2' ' HG3' ' A' ' 134' ' ' LYS . . . -54.53 -39.96 68.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.659 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 67' ' ' LEU . 2.4 m95 -73.4 -34.32 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.393 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' OE1' HG21 ' A' ' 24' ' ' ILE . 1.5 tt0 -64.86 -48.27 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 32' ' ' ASP . 13.3 m -60.56 -45.61 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.871 HG11 HG23 ' A' ' 127' ' ' ILE . 27.0 m -68.57 -47.05 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.485 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 144' ' ' VAL . 1.6 ppt_? -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -69.05 -33.99 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.454 ' O ' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -60.34 -36.52 78.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 152' ' ' PHE . 71.0 mt -47.54 -30.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.469 . . . . 0.0 110.591 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -58.43 -35.31 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.892 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.21 -51.5 63.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.98 -35.08 70.69 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 148' ' ' ILE . 4.3 m-85 -61.06 -36.9 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.07 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 58.0 m -89.56 -37.96 14.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 158' ' ' LEU . 0.3 OUTLIER -56.82 -52.47 64.96 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.071 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.71 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.5 p -48.41 -28.88 3.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.407 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 156' ' ' ILE . 3.7 mt -120.63 35.27 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.22 -61.06 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -61.39 -50.38 73.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -50.15 35.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -72.16 -28.05 62.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.966 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 158' ' ' LEU . 4.2 mtt180 -88.63 98.56 11.74 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 111.096 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.9 33.98 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.42 -71.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.6 t -111.37 6.28 20.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 111.496 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 63.29 39.75 9.26 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.896 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.847 0.356 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -92.44 107.81 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -95.81 -64.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.262 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 3' ' ' LEU . 73.9 Cg_endo -75.48 -44.85 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.322 2.015 . . . . 0.0 112.378 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.06 80.73 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -98.43 29.28 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 6' ' ' THR . 42.4 m-70 -157.92 173.35 16.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -148.01 164.78 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.74 35.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.21 158.4 25.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.728 ' HB2' HD13 ' A' ' 156' ' ' ILE . 10.1 t-20 -108.19 165.03 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 61.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -136.38 -68.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . . . -64.2 -29.33 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.85 -40.62 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.3 mp -61.72 -47.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 81' ' ' LEU . 7.0 tp -63.46 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.7 -30.54 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.966 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.67 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.594 ' NE2' HD23 ' A' ' 81' ' ' LEU . 3.2 tt0 -60.92 -16.43 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.452 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.71 29.99 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.763 0.316 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -13.43 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.431 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -69.08 -12.88 62.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.656 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 142' ' ' GLU . 2.5 tt -63.98 165.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.269 . . . . 0.0 110.726 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -99.67 116.28 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.01 -16.74 21.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 112.27 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -81.92 -0.54 44.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.477 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -67.68 -26.89 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.591 ' O ' HD12 ' A' ' 30' ' ' LEU . 28.5 p -162.65 166.63 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.745 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 29' ' ' CYS . 10.0 mp -132.47 -66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.477 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.37 0.58 32.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.539 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 143' ' ' VAL . 1.9 tpt180 -83.14 77.0 9.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -115.0 174.21 6.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 7.8 p-10 -121.88 89.7 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -1.0 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.882 178.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.907 ' HA ' HD11 ' A' ' 127' ' ' ILE . 6.0 tp10 -80.11 -65.43 1.01 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.689 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.856 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -99.71 112.1 62.99 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.008 0.433 . . . . 0.0 111.446 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 16.2 Cg_exo -65.6 102.24 0.49 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 109.965 -0.821 . . . . 0.0 109.965 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -64.77 -26.91 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.314 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -53.73 -41.85 67.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.77 -18.94 29.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.809 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' HB3' HD22 ' A' ' 154' ' ' LEU . 25.5 m-85 -90.22 -19.56 24.03 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLN . 24.7 t0 -65.91 155.25 37.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.028 0.442 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.02 -15.62 63.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.007 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -48.86 -28.54 3.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 110.953 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -166.68 69.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.751 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.784 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 3.1 t80 -146.79 138.86 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.533 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.87 -174.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.617 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -63.34 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -59.48 -41.32 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HA ' HG21 ' A' ' 106' ' ' VAL . 1.9 tp-100 -56.39 -40.78 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.41 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.784 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.52 -39.8 77.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 99' ' ' CYS . 46.3 mm -55.56 -33.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -68.28 -53.72 22.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.99 -49.43 44.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 111.751 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 53' ' ' ALA . 7.0 mp -52.68 -45.86 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.2 t-160 -55.67 -50.94 68.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.638 0.256 . . . . 0.0 111.601 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.804 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -69.24 -41.56 76.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.17 -48.57 78.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.342 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 93' ' ' LEU . 35.6 mm -68.72 -40.11 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.055 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.49 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -67.72 -46.54 71.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.031 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' CE2' ' A' ' 85' ' ' PHE . 83.3 m -59.79 -38.0 80.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.776 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -60.58 -47.62 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -65.94 -29.23 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 4.0 tp -58.06 -58.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 82' ' ' LEU . 53.5 m-85 -78.04 -37.98 45.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.07 0.462 . . . . 0.0 111.24 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 t -62.47 -10.77 12.73 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -73.52 0.39 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.93 -48.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -69.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -66.49 -23.76 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -6.46 59.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.52 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -35.75 54.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -118.45 152.63 35.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.832 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -53.53 146.21 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -31.3 61.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.188 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -71.72 -50.94 25.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -70.46 -37.42 74.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.625 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' ' 77' ' ' LEU . 1.2 tm? -65.1 -45.85 83.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.721 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.92 -30.23 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HE2' HD21 ' A' ' 89' ' ' LEU . 1.7 t80 -58.97 -41.87 88.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.562 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.1 -50.58 72.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.806 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.3 mt -64.07 -35.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.166 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 14' ' ' ALA . 2.2 mm-40 -60.05 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD21 ' HE2' ' A' ' 85' ' ' PHE . 58.9 mt -67.17 -39.77 86.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.82 -37.22 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -63.45 -39.94 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -71.46 -42.06 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.416 HD12 ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -57.12 -37.52 72.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -59.83 -27.39 66.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -95.97 28.69 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 95' ' ' ASP . 12.1 mt -145.37 -49.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -35.68 76.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.8 p -62.95 -31.2 72.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.594 ' HB2' HG21 ' A' ' 54' ' ' ILE . 69.5 m -76.34 -30.19 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.075 HG13 HG21 ' A' ' 107' ' ' ILE . 30.5 t -59.83 -44.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.9 ttt -75.45 -30.62 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -62.09 -33.14 73.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.23 61.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -64.55 -44.31 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.669 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 153.64 -26.74 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.393 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 52' ' ' GLN . 9.4 p -84.52 -28.12 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.075 HG21 HG13 ' A' ' 100' ' ' VAL . 2.7 mp -97.12 39.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -120.84 -32.06 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.292 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -91.18 112.58 54.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.86 -33.03 65.83 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.534 2.156 . . . . 0.0 112.197 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.08 -50.26 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.039 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.47 -27.34 47.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.823 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.5 OUTLIER -60.33 -46.69 89.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 1.3 mt-10 -50.23 -49.95 51.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.783 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.26 -42.07 90.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.8 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -76.89 -46.83 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 0.0 111.346 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.804 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.6 mm -67.8 -48.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.837 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.8 tt -55.92 -35.29 66.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.35 73.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.418 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 t -78.06 -47.76 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.754 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.42 ' CD ' ' HA ' ' A' ' 118' ' ' LEU . 10.5 ptm180 -65.85 -40.77 92.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB2' HD23 ' A' ' 118' ' ' LEU . 25.0 tttt -56.23 -46.95 79.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -73.3 -41.11 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.561 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 15.5 t80 -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.13 -34.06 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -37.82 83.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.907 HD11 ' HA ' ' A' ' 37' ' ' GLU . 45.1 mt -61.55 -44.92 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.028 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.83 -38.25 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.54 -50.91 72.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 141' ' ' TRP . 6.8 mp -65.03 -32.81 74.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.4 m -56.64 -38.26 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.4 -31.21 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 140' ' ' ALA . 3.7 tttt -95.58 -4.97 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 29.24 16.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 14.9 m-85 58.35 52.16 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.4 t -59.96 -69.27 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 -48.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -41.75 76.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -54.7 -42.0 70.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.433 ' CE2' HD23 ' A' ' 131' ' ' LEU . 1.3 m95 -73.68 -35.47 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.8 -41.79 86.99 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.577 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 33' ' ' ARG . 17.1 m -66.57 -45.43 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.744 HG21 ' CG2' ' A' ' 127' ' ' ILE . 6.4 p -65.44 -44.55 94.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.172 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 148' ' ' ILE . 16.7 ptp180 -68.24 -45.08 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.0 69.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.704 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -68.72 -36.46 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -48.88 -38.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 7.7 ptt? -56.67 -34.96 67.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.62 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 10.0 ttt85 -60.59 -48.13 83.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.57 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -59.16 -46.58 88.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.08 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.03 -24.84 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.357 179.064 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m -78.22 -68.12 0.67 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.823 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.968 HD12 ' N ' ' A' ' 155' ' ' SER . 1.8 pp -62.22 -32.76 73.47 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.968 ' N ' HD12 ' A' ' 154' ' ' LEU . 91.4 p -56.38 -37.16 69.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.682 0.277 . . . . 0.0 111.335 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 11' ' ' ASN . 1.4 pp -114.81 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.14 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.527 ' CD1' ' CG ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -62.8 -35.57 80.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.713 ' O ' HD11 ' A' ' 162' ' ' LEU . 2.7 pt20 -51.82 -45.22 63.84 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -24.7 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.229 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 116.51 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.306 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 159' ' ' GLN . 4.1 mp -148.08 -70.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.1 mttm 61.11 -96.96 0.06 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.259 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 75.6 m -104.1 -120.42 0.2 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.455 0.645 . . . . 0.0 110.574 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 72.17 39.87 0.75 Allowed 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.96 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.07 135.68 43.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.41 147.34 0.96 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.26 124.75 10.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.512 2.141 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -83.95 163.28 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -89.2 -49.47 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -171.93 148.88 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.9 m -153.36 102.93 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.15 -39.54 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.49 -142.83 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.423 HD22 HD23 ' A' ' 15' ' ' LEU . 40.1 t30 -102.71 171.96 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 -174.67 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 70.23 -66.15 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -88.21 -35.14 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 149' ' ' MET . 0.2 OUTLIER -64.37 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.037 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.26 -35.84 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 HD13 ' A' ' 81' ' ' LEU . 32.1 tp -64.9 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.024 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER -62.95 -30.47 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -31.44 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.336 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -17.77 49.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.476 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.46 34.25 1.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -13.47 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.54 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -69.09 -10.93 60.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 tt -68.53 165.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.572 0.225 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.1 m -95.68 118.59 65.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.58 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' SER . 17.8 Cg_endo -59.64 -16.23 35.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.344 2.029 . . . . 0.0 112.115 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -83.21 -0.74 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -69.73 -29.99 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' C ' HD22 ' A' ' 30' ' ' LEU . 26.7 p -159.19 142.02 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -121.04 -54.12 2.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -73.17 -7.68 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.654 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG11 ' A' ' 143' ' ' VAL . 45.9 m-20 -93.04 27.92 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.647 0.26 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.9 91.13 4.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -140.17 167.91 21.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -121.66 93.63 4.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.836 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.62 -0.74 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.656 ' CA ' HD11 ' A' ' 127' ' ' ILE . 4.8 pm0 -82.2 -49.85 9.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.884 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.58 112.58 53.92 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 111.902 -178.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 9.3 Cg_exo -69.33 101.8 0.89 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 N-CA-C 109.545 -0.983 . . . . 0.0 109.545 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 10.4 tt0 -64.91 -29.18 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -53.58 -41.43 66.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -86.4 -20.27 28.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.686 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 21.3 m-85 -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.41 152.08 35.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.876 0.369 . . . . 0.0 111.167 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.04 3.85 18.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.947 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -55.35 -23.67 25.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.378 . . . . 0.0 110.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -174.96 58.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -146.56 151.73 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.1 -177.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.62 -177.68 4.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.343 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -64.15 1.03 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.274 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.21 -40.38 64.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.8 mt-30 -61.78 -40.83 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.178 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -58.97 -34.63 72.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.874 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.718 HG23 ' HB3' ' A' ' 96' ' ' LEU . 40.4 mm -55.86 -33.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.792 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -67.79 -54.45 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.034 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 120' ' ' VAL . 22.8 t -69.38 -49.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 155' ' ' SER . 7.5 mp -55.11 -45.74 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.499 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.1 t-160 -59.54 -50.3 74.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.394 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' HG23 ' A' ' 117' ' ' ILE . 1.3 mp0 -68.46 -34.68 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.517 ' HA ' HG11 ' A' ' 120' ' ' VAL . 12.7 tmm? -63.52 -48.51 77.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.89 -41.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.42 -36.46 71.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.457 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 0.0 OUTLIER -69.85 -44.49 69.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.774 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.557 ' HB ' HD22 ' A' ' 89' ' ' LEU . 4.4 m -63.06 -40.07 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.765 ' HA ' HD13 ' A' ' 89' ' ' LEU . 32.4 t80 -64.05 -40.24 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.655 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' ND2' HG23 ' A' ' 70' ' ' THR . 0.6 OUTLIER -78.63 -29.59 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CB ' ' A' ' 73' ' ' SER . 1.8 tt -58.22 -50.13 74.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.198 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' HD21 ' A' ' 82' ' ' LEU . 67.0 m-85 -77.76 -46.64 21.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -56.93 -18.88 15.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.419 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.497 HG23 ' ND2' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -72.31 -5.41 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.1 ttpm? 88.86 -31.94 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.44 0.296 . . . . 0.0 111.473 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -74.14 0.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.601 ' CB ' HD23 ' A' ' 67' ' ' LEU . 24.1 t -67.48 -25.77 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -54.7 -38.96 67.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.808 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.18 -6.98 51.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.393 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -77.33 -34.41 55.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.753 0.311 . . . . 0.0 111.226 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 145' ' ' ARG . 1.1 tp -115.47 160.91 19.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.25 145.8 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.401 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.68 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 110.99 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 m -72.65 -51.08 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.619 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -70.69 -36.34 73.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 110.395 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD11 ' OH ' ' A' ' 86' ' ' TYR . 3.0 tm? -68.02 -49.42 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.78 -29.68 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.608 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.4 mt-10 -70.09 -30.04 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.301 0.572 . . . . 0.0 109.788 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.93 -46.77 87.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.723 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 82' ' ' LEU . 22.8 m-85 -53.14 -44.17 67.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 24.2 mt -62.4 -34.38 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.752 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -50.78 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.765 HD13 ' HA ' ' A' ' 65' ' ' PHE . 1.6 mt -62.38 -38.73 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.46 -43.14 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -61.07 -44.7 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -71.37 -34.86 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.08 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.34 -33.47 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -40.35 80.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.718 ' HB3' HG23 ' A' ' 54' ' ' ILE . 4.6 mt -84.79 -42.63 14.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -35.59 66.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -30.24 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -31.62 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 107' ' ' ILE . 23.8 t -63.56 -43.07 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -27.18 68.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.76 -21.31 40.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.8 44.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HG12 ' A' ' 106' ' ' VAL . 7.3 p -63.61 -31.0 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.6 23.15 19.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.667 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' ILE . 14.8 p -98.82 -30.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.223 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.749 HG13 HG13 ' A' ' 106' ' ' VAL . 3.0 mt -108.2 47.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.14 -45.17 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -65.13 114.53 15.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.97 -30.33 48.14 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.475 2.117 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.5 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.8 mtt -63.27 -23.54 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.462 ' OH ' HG22 ' A' ' 107' ' ' ILE . 1.5 m-85 -68.54 -49.42 59.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 42.0 mt-10 -56.74 -52.15 66.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.619 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.97 -41.91 77.31 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.4 p -76.67 -50.77 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 59' ' ' GLU . 1.1 mm -67.87 -49.5 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.6 tt -61.11 -34.57 75.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.696 0.284 . . . . 0.0 111.377 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.01 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.407 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 60' ' ' MET . 21.7 t -82.35 -40.71 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.399 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.5 -33.16 74.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.578 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 tttp -75.1 -41.55 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.277 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -72.54 -47.44 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 1.1 m-85 -57.28 -30.9 65.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.75 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.95 -34.05 77.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.25 90.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.676 HG23 HG11 ' A' ' 144' ' ' VAL . 38.5 mt -59.46 -47.94 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -47.81 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.985 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.28 -34.71 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -65.29 -51.66 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.6 mp -64.96 -35.1 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.9 m -57.13 -35.03 69.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.49 -31.96 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -96.25 -2.7 45.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.339 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.9 mptt 63.34 26.48 15.05 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.727 0.298 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 131' ' ' LEU . 25.2 m-85 54.71 65.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.8 t -69.82 -78.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.2 t -170.53 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -45.05 56.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.34 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.482 ' CD2' HD21 ' A' ' 131' ' ' LEU . 0.3 OUTLIER -73.37 -34.21 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.599 179.607 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -45.56 58.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 32' ' ' ASP . 6.0 m -56.95 -41.84 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.676 HG11 HG23 ' A' ' 127' ' ' ILE . 34.6 m -74.64 -39.03 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.393 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 18' ' ' LEU . 6.2 mtt85 -74.4 -52.2 12.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.357 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -55.2 -31.25 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.44 -34.93 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.468 HG12 ' HG3' ' A' ' 37' ' ' GLU . 64.3 mt -47.68 -29.93 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.646 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.9 ptt? -56.48 -35.57 68.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 38' ' ' PHE . 7.1 ttt180 -61.68 -49.23 77.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.454 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.25 -44.67 92.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 110.161 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.442 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 2.7 m-85 -61.22 -30.34 70.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.807 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -58.74 3.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.124 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 155' ' ' SER . 4.7 pp -66.95 -38.07 85.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.692 ' N ' HD12 ' A' ' 154' ' ' LEU . 34.8 p -44.31 -28.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.918 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 4.6 pt -109.05 -25.01 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -10.08 43.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -72.32 -41.34 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.229 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.08 -45.18 79.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.036 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 62.53 -82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.11 40.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.877 0.37 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -114.86 85.79 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.8 t -116.77 6.58 13.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.636 0.732 . . . . 0.0 111.435 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp 63.8 39.75 8.15 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.884 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.75 0.31 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -73.37 121.24 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 mp -113.97 143.2 29.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.66 91.52 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.562 2.175 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 31.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -115.27 168.05 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -106.68 156.93 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -26.55 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -56.63 -30.75 63.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.67 -167.44 23.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -98.82 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 52.11 9.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -118.83 -40.12 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.55 -22.56 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.385 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -35.17 62.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -67.76 -40.35 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 85' ' ' PHE . 9.0 tp -57.97 -46.75 84.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.72 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD11 ' HB ' ' A' ' 148' ' ' ILE . 4.1 mm? -67.12 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.985 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.05 -30.18 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.035 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -15.32 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.766 ' HE2' ' HB2' ' A' ' 146' ' ' ALA . 5.3 ppp? -66.77 -14.65 62.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.851 0.358 . . . . 0.0 111.036 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -12.92 38.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.142 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -9.28 48.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB2' ' A' ' 142' ' ' GLU . 1.9 tt -111.93 166.43 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.689 0.281 . . . . 0.0 110.857 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -105.81 139.17 19.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.0 -16.35 40.7 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.331 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -78.01 -1.04 30.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.701 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -67.67 -45.32 75.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.768 0.318 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.603 ' C ' HD12 ' A' ' 30' ' ' LEU . 97.2 m -151.76 141.82 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD12 ' C ' ' A' ' 29' ' ' CYS . 6.5 mp -114.42 -32.65 5.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.446 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -69.52 -8.46 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG11 ' A' ' 143' ' ' VAL . 0.5 OUTLIER -93.08 19.65 7.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.518 0.199 . . . . 0.0 111.327 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -81.9 68.59 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 15.5 m-70 -131.2 160.48 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -121.72 91.13 3.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.922 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.48 -0.6 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.92 178.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.811 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.2 tm-20 -75.99 -64.18 1.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.916 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -97.14 111.4 57.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 111.696 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 11.4 Cg_exo -69.91 102.52 1.06 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 N-CA-C 109.996 -0.809 . . . . 0.0 109.996 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 35.6 tt0 -65.22 -30.64 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.048 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.72 -42.26 67.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.249 0.547 . . . . 0.0 109.573 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' CG ' ' CB ' ' A' ' 119' ' ' ALA . 1.9 mm-40 -87.37 -28.13 22.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.846 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.819 ' HB3' HD22 ' A' ' 154' ' ' LEU . 7.7 m-30 -86.53 0.32 54.54 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.118 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' GLN . 28.4 t70 -90.56 161.44 15.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -72.41 -3.62 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.935 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -48.63 -27.77 3.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.929 0.395 . . . . 0.0 110.803 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.05 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.334 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 t80 -110.46 138.82 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 1.9 mt-30 -142.67 -178.43 5.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.882 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -61.98 -53.19 59.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.698 ' O ' HG11 ' A' ' 106' ' ' VAL . . . -69.49 -40.46 77.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.854 ' HA ' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.51 -40.54 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 109.956 179.346 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.751 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -55.49 -40.89 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.951 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 99' ' ' CYS . 51.4 mm -55.3 -33.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -68.39 -54.69 15.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.4 -49.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 155' ' ' SER . 8.3 mp -52.34 -45.96 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.871 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 96' ' ' LEU . 11.5 t-160 -55.65 -50.04 71.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG3' HD13 ' A' ' 117' ' ' ILE . 68.9 mm-40 -68.55 -45.79 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.977 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -48.79 75.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.407 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 HG22 HD12 ' A' ' 93' ' ' LEU . 29.5 mm -71.57 -42.43 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.021 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.1 -37.25 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 4.5 tp60 -69.76 -46.37 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -61.9 -38.29 87.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -61.75 -48.12 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.94 -29.36 70.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.8 OUTLIER -58.11 -58.64 7.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.017 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB3' HD21 ' A' ' 82' ' ' LEU . 95.4 m-85 -78.18 -36.16 47.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.097 0.475 . . . . 0.0 111.026 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 32.9 t -61.78 -12.12 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.454 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -82.37 -73.81 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.729 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER 173.84 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -69.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.442 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -65.36 -24.72 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.22 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 1.6 t -56.41 -43.95 79.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.561 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.33 -16.56 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.235 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.31 -33.85 55.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.794 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.5 145.98 31.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.806 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.72 144.53 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -41.05 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.288 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -50.85 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -70.41 -43.69 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.794 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -59.01 -41.81 88.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.747 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.5 -46.23 90.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 0.0 110.106 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.4 mt-10 -69.86 -28.84 65.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.787 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 17' ' ' LEU . 5.7 t80 -58.21 -38.02 75.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.731 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.468 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 22.2 m-30 -65.53 -51.17 61.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.788 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 84' ' ' GLU . 5.4 mt -60.26 -37.43 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.386 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -50.88 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.048 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 85' ' ' PHE . 14.5 mt -71.73 -39.13 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.48 -32.23 68.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.56 -50.16 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -33.2 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.53 -36.98 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -62.11 -29.19 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 31.29 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 58' ' ' HIS . 22.6 mt -139.15 -50.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -35.46 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 m -62.71 -34.13 76.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.715 ' HB2' HG21 ' A' ' 54' ' ' ILE . 79.2 m -64.98 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 107' ' ' ILE . 42.1 t -67.2 -46.64 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.047 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -70.95 -29.53 65.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.417 ' NE2' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -72.06 -32.52 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 67.58 61.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 105' ' ' GLY . 1.4 m -62.59 -44.68 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 151.33 -30.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.605 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.854 HG21 ' HA ' ' A' ' 52' ' ' GLN . 14.2 p -84.2 -31.19 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.814 HG21 HG22 ' A' ' 100' ' ' VAL . 1.6 mp -98.74 40.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -127.48 -43.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -72.92 113.11 18.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.035 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.24 -30.94 89.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.57 -46.37 83.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.1 mtp -64.99 -19.8 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.261 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -49.45 67.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -51.98 -52.87 47.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.43 -41.78 90.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.924 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.6 p -76.58 -48.74 18.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 111.803 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.588 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.3 mm -67.77 -49.36 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.809 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.5 tt -58.33 -35.04 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.111 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.401 ' CB ' ' CG ' ' A' ' 42' ' ' GLU . . . -58.14 -38.4 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.253 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.38 -43.69 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.316 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.57 -45.72 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 118' ' ' LEU . 1.6 mmtp -59.32 -43.82 92.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -72.98 -47.27 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 17.3 t80 -59.97 -33.51 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.96 -34.13 77.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -62.38 -43.54 98.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.811 HD11 ' HA ' ' A' ' 37' ' ' GLU . 37.0 mt -62.06 -48.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -47.74 84.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.86 -34.7 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -64.29 -55.26 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 141' ' ' TRP . 7.5 mp -58.87 -34.23 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.985 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 91.3 m -58.0 -37.55 74.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -38.97 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -86.43 -0.48 56.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 27.6 16.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.788 0.328 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 25.3 m-85 54.71 62.63 2.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.2 t -63.76 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.261 0.553 . . . . 0.0 109.786 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.524 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 p -72.62 -52.51 15.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -27.98 37.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.85 -38.99 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.264 179.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.443 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 2.1 tt0 -63.5 -48.91 75.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 32' ' ' ASP . 15.3 m -56.72 -43.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.773 HG11 HG23 ' A' ' 127' ' ' ILE . 35.4 m -74.49 -32.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -52.26 12.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.766 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -57.34 -35.87 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.431 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.65 -35.51 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 18' ' ' LEU . 72.6 mt -48.36 -33.2 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.28 -37.62 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.526 ' CG ' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.44 -41.86 72.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -58.17 -40.2 80.84 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.645 0.26 . . . . 0.0 111.263 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -33.57 21.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 26.8 t -54.02 -59.01 5.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.817 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -71.84 -32.45 67.53 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.669 ' H ' HD12 ' A' ' 154' ' ' LEU . 87.2 p -56.44 -20.71 21.17 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.85 -34.24 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.24 -22.32 19.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 111.546 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -59.2 -50.68 73.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.702 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -50.66 -40.99 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -71.83 -25.56 62.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 58.42 165.51 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.843 0.354 . . . . 0.0 110.766 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.86 121.64 27.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 -56.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.3 t -107.98 6.38 27.1 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.624 0.726 . . . . 0.0 111.561 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp 63.57 39.81 8.6 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.867 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.65 117.78 23.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.77 91.06 28.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.2 108.68 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.519 2.146 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -127.26 95.53 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 p 53.18 79.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.043 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -59.51 138.85 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -146.28 -175.88 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.07 38.11 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.67 162.97 11.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.554 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.4 t-20 -79.62 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.25 -173.93 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.22 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 152' ' ' PHE . . . -61.07 -29.44 69.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 11' ' ' ASN . 33.4 mt -59.32 -39.31 82.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.65 -34.21 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' A' ' 85' ' ' PHE . 6.3 tp -58.57 -46.62 86.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 149' ' ' MET . 0.1 OUTLIER -66.95 -30.38 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.43 -31.51 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -16.57 42.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.446 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -93.54 38.86 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.25 -13.74 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.596 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' A' ' 142' ' ' GLU . 2.5 tt -65.22 166.15 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -107.68 136.31 19.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.758 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.1 -18.83 65.03 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.422 2.081 . . . . 0.0 112.277 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -88.87 -0.42 57.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -67.6 -30.37 69.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.724 0.297 . . . . 0.0 110.952 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.908 ' O ' HD13 ' A' ' 30' ' ' LEU . 19.4 p -162.58 153.19 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.908 HD13 ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -132.86 -57.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -76.13 -6.27 50.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.481 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.638 ' O ' HG11 ' A' ' 143' ' ' VAL . 54.5 m-20 -90.91 27.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.388 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -93.2 76.81 4.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 4.2 m-70 -121.3 158.68 27.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.678 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CB ' ' HG2' ' A' ' 147' ' ' GLU . 5.7 p-10 -121.66 92.67 3.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.816 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.6 -0.81 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.305 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 127' ' ' ILE . 1.7 tp10 -78.16 -65.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.885 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -97.82 110.63 56.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 111.519 -178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 21.1 Cg_endo -66.03 101.63 0.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 118.973 0.669 . . . . 0.0 110.616 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.768 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 1.1 tm0? -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.187 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.07 -42.16 80.1 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 5.4 mm-40 -86.5 -23.24 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 7.5 m-85 -86.29 -13.21 47.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.904 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.5 t0 -76.99 154.06 33.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.96 3.72 28.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.904 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -20.99 44.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.44 63.41 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -154.88 151.74 28.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.143 -177.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -138.87 -174.08 3.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 159' ' ' GLN . 4.9 tptm -61.8 -60.93 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.575 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.971 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -53.18 -43.44 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.873 ' HA ' HG21 ' A' ' 106' ' ' VAL . 18.1 mt-30 -61.85 -40.94 97.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -57.28 -37.08 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.87 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 99' ' ' CYS . 44.8 mm -55.94 -34.26 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -68.13 -53.45 25.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG22 ' A' ' 120' ' ' VAL . 24.1 t -69.24 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.328 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 155' ' ' SER . 6.3 mp -52.69 -45.79 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.332 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -60.05 -49.87 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.052 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 117' ' ' ILE . 38.6 mm-40 -68.28 -34.73 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -64.17 -48.45 75.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 93' ' ' LEU . 29.0 mm -71.42 -42.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.194 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -39.47 79.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' PHE . 1.1 tp60 -69.67 -45.39 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.725 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 m -59.77 -43.05 94.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -61.36 -41.05 96.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.7 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -68.55 -29.36 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' CH2' ' A' ' 141' ' ' TRP . 0.6 OUTLIER -58.02 -58.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 77' ' ' LEU . 65.8 m-85 -77.9 -40.86 38.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 0.0 111.419 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 86' ' ' TYR . 27.0 t -56.86 -20.91 25.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.207 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -72.7 -7.98 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 70' ' ' THR . 23.9 tttm 87.85 -24.99 0.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.609 0.364 . . . . 0.0 111.429 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -64.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.794 0.33 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -70.86 -27.72 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.6 t -55.0 -35.96 64.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.64 -15.03 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.21 -30.87 54.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 68' ' ' PHE . 3.4 mp -110.11 155.94 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.712 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.25 139.7 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -31.88 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.7 m -70.69 -50.77 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -70.38 -36.25 74.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -65.75 -38.67 89.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.608 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.14 -46.01 92.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.172 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.565 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.901 ' CD2' HD21 ' A' ' 17' ' ' LEU . 3.1 t80 -58.42 -38.06 76.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.616 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.477 ' CZ ' ' CD1' ' A' ' 82' ' ' LEU . 20.9 m-30 -63.97 -51.17 65.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.67 -34.6 66.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -44.06 85.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.147 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.41 -41.53 21.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.84 -40.5 80.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.78 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -69.72 -38.12 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.56 -36.88 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.61 -38.2 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -37.29 36.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.1 mm? -70.57 -47.65 59.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.41 -35.46 70.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.22 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.2 p -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.629 ' CB ' HG21 ' A' ' 54' ' ' ILE . 3.7 m -65.06 -29.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.785 ' HA ' HD13 ' A' ' 107' ' ' ILE . 25.9 t -67.09 -39.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ttm -72.91 -26.1 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' OE1' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -55.67 -26.37 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.074 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 65.18 59.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.971 HG21 ' HB1' ' A' ' 51' ' ' ALA . 1.1 m -73.73 -42.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 104' ' ' VAL . . . 143.09 -38.8 1.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.735 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.5 p -57.1 -31.45 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.785 HD13 ' HA ' ' A' ' 100' ' ' VAL . 1.9 mp -98.57 37.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.734 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -133.79 -46.12 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 t -69.67 120.76 79.5 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -55.98 -31.39 81.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.472 2.115 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 111' ' ' LEU . 2.0 pp -67.59 -39.4 84.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.144 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.535 ' SD ' HG23 ' A' ' 106' ' ' VAL . 4.6 mtt -66.45 -32.26 73.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 117' ' ' ILE . 1.3 m-85 -63.8 -47.0 82.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 1.9 mm-40 -59.44 -51.29 70.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.658 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.78 -42.07 77.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 120' ' ' VAL . 55.2 p -77.05 -51.03 11.78 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.2 mm -68.08 -49.56 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 118' ' ' LEU . 1.4 tm? -60.46 -40.0 89.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.694 0.283 . . . . 0.0 111.433 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.13 -35.21 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 111.374 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.512 HG22 HG13 ' A' ' 56' ' ' VAL . 9.2 t -82.38 -44.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.274 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -45.0 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.297 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -62.39 -51.42 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.105 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -60.55 -47.36 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 63' ' ' GLN . 3.5 m-85 -62.73 -29.41 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.43 -34.06 77.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -61.86 -41.79 98.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.95 HG23 HG11 ' A' ' 144' ' ' VAL . 50.8 mt -55.88 -45.95 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -60.69 -47.87 84.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.79 -34.63 75.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.68 -52.97 38.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.485 HD23 ' CE2' ' A' ' 141' ' ' TRP . 8.2 mp -65.05 -42.17 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 89.2 m -57.29 -38.17 73.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.11 -31.49 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -2.66 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 60.41 29.61 19.14 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 10.5 m-85 54.67 64.08 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.7 t -65.1 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -74.31 -33.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.865 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.12 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.561 ' CH2' HD21 ' A' ' 67' ' ' LEU . 7.8 m95 -73.84 -34.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.928 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 24' ' ' ILE . 15.3 tm-20 -70.15 -50.27 42.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 139' ' ' CYS . 3.4 m -56.6 -42.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.193 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.95 HG11 HG23 ' A' ' 127' ' ' ILE . 26.8 m -69.31 -34.91 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.4 . . . . 0.0 110.911 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' A' ' 148' ' ' ILE . 82.4 mtt180 -74.19 -40.03 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -63.92 -37.84 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 145' ' ' ARG . 67.2 mt -50.9 -36.02 15.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.768 ' HB2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.27 -43.04 96.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.319 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 2.7 ttt85 -62.11 -46.13 90.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -58.82 -45.67 89.44 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 1.1 m-85 -59.98 -26.49 66.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.2 p -78.15 -57.83 3.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 38' ' ' PHE . 4.5 pp -68.48 -37.93 80.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.582 ' O ' HD21 ' A' ' 57' ' ' LEU . 24.9 p -42.3 -28.37 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.511 HD13 ' ND2' ' A' ' 11' ' ' ASN . 17.4 pt -115.83 -18.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -109.8 9.75 24.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 48' ' ' PHE . 1.7 tm? -73.54 -41.61 62.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 50' ' ' LYS . 1.9 tm0? -60.41 -43.83 96.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -56.37 -30.46 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.29 126.13 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 163' ' ' LYS . 2.6 pp -164.38 -43.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 162' ' ' LEU . 15.0 mtpt -63.41 173.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.7 t -121.17 6.04 10.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.699 0.761 . . . . 0.0 111.568 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 59.88 40.1 19.61 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.867 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.815 0.341 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.95 119.25 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -84.99 -51.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 15.7 Cg_exo -68.21 158.57 56.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.604 2.202 . . . . 0.0 112.191 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.26 99.95 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -77.38 -30.33 53.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 62.61 67.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.97 89.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 160' ' ' LYS . 6.2 mp -71.27 -176.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.31 118.35 0.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' HB2' HD11 ' A' ' 156' ' ' ILE . 43.4 t30 -72.76 163.0 28.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.6 80.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -168.3 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.24 -21.3 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.248 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.14 -30.14 47.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.0 mp -71.91 -44.65 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.28 -41.12 83.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.88 -30.52 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.56 64.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.352 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.826 ' HG3' HD21 ' A' ' 81' ' ' LEU . 43.2 mm-40 -60.99 -17.87 54.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.412 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.6 38.94 1.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.808 0.337 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.67 -13.53 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.469 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -12.2 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.553 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -70.22 165.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.236 . . . . 0.0 110.642 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -95.97 116.15 66.03 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.688 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.45 -16.49 23.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.414 2.076 . . . . 0.0 112.22 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.36 -9.71 58.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.546 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -67.79 -28.78 67.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.748 0.309 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.815 ' C ' HD22 ' A' ' 30' ' ' LEU . 20.8 p -155.32 141.83 18.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 29' ' ' CYS . 3.2 mm? -135.42 -61.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -6.96 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.412 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -87.21 15.51 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -91.42 87.19 6.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -121.84 179.08 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 9.4 p30 -118.96 90.14 3.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 111.769 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.96 1.0 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.801 ' CB ' HD11 ' A' ' 127' ' ' ILE . 16.3 tt0 -106.08 -54.36 2.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.091 0.472 . . . . 0.0 111.599 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 6.3 p90 -90.34 114.84 62.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.601 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 39.3 Cg_endo -72.6 103.62 1.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 120.826 1.018 . . . . 0.0 110.755 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -65.95 -28.0 68.58 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.278 179.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -57.85 -41.41 82.31 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mm-40 -85.97 -22.31 27.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.241 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.681 ' HB3' HD22 ' A' ' 154' ' ' LEU . 22.2 m-30 -93.05 17.51 10.7 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.651 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -98.49 142.96 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.31 3.97 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -58.73 -21.73 55.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 58.3 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -149.44 151.56 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.04 -177.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.1 -175.48 3.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -61.82 -64.23 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' ' 106' ' ' VAL . . . -53.62 -40.88 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -57.89 -40.96 81.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.498 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . . . -59.12 -33.01 70.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 99' ' ' CYS . 49.1 mm -56.05 -33.27 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.053 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.6 p -66.51 -54.04 28.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -70.31 -41.99 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 155' ' ' SER . 5.7 mp -55.45 -45.58 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.446 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -55.93 -50.16 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.164 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -68.54 -33.47 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE3' ' HG2' ' A' ' 37' ' ' GLU . 8.3 tpt -59.64 -48.55 81.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.558 HG22 ' HB3' ' A' ' 89' ' ' LEU . 25.1 mm -71.39 -44.99 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.11 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HG3' HD21 ' A' ' 93' ' ' LEU . 2.0 tt0 -55.99 -36.53 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 7.3 tp60 -66.23 -45.75 79.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -62.37 -36.08 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.81 -45.04 95.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.57 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' HE2' ' A' ' 124' ' ' PHE . 8.0 tt -57.97 -55.62 32.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.719 0.295 . . . . 0.0 111.528 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 82' ' ' LEU . 74.7 m-85 -77.33 -30.1 53.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t -67.63 -22.29 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.56 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CB ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.92 -7.09 52.52 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER 80.7 -8.82 1.42 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -67.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.9 t -70.86 -30.39 66.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -54.65 -25.09 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.61 -25.57 60.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.259 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.56 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HD13 ' A' ' 82' ' ' LEU . 7.7 mp -94.1 -177.04 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.4 127.61 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.728 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.04 -37.71 69.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -62.52 -50.54 70.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.826 HD21 ' HG3' ' A' ' 20' ' ' GLN . 2.0 tm? -70.33 -42.03 72.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.55 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 68' ' ' PHE . 6.5 tp -68.04 -34.37 76.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.22 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -51.66 -29.03 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.98 -29.04 66.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.692 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -58.57 -53.39 58.9 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.446 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -52.96 -35.98 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.083 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.9 mt -72.91 -34.48 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.941 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -40.35 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.017 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 mt -74.62 -49.3 22.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -55.14 -44.1 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.7 -45.38 94.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.436 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.3 tt0 -71.39 -36.14 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -60.57 -39.5 88.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.767 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.43 -31.66 70.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -78.25 -49.59 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.2 mm? -60.01 -45.86 91.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -69.45 -35.72 75.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -63.0 -31.96 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 54' ' ' ILE . 99.2 m -74.2 -34.33 63.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 96' ' ' LEU . 21.6 t -66.12 -45.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -26.65 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -57.07 -22.1 36.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 68.05 40.48 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 ' H ' ' A' ' 106' ' ' VAL . 6.0 p -58.61 -28.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.278 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.07 13.68 17.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.726 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.769 ' HB ' ' HB1' ' A' ' 51' ' ' ALA . 13.9 p -82.38 -30.33 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.873 0.368 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.572 HG13 HG13 ' A' ' 106' ' ' VAL . 1.2 mp -86.75 53.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -99.84 -33.62 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 t -96.83 112.5 60.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 -44.76 2.96 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.611 2.208 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.75 -46.81 87.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 30.0 mtt -59.05 -27.79 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 -48.63 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -62.22 -52.5 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -60.11 -41.95 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.524 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -76.44 -50.62 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.733 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.641 HG23 ' HG2' ' A' ' 59' ' ' GLU . 60.4 mt -60.91 -43.87 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.991 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.841 ' O ' HD13 ' A' ' 118' ' ' LEU . 2.4 tm? -59.85 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.397 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.17 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 56' ' ' VAL . 18.2 t -71.17 -47.83 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.568 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' HD22 ' A' ' 118' ' ' LEU . 12.1 ptp180 -71.53 -32.09 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.21 -38.3 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.652 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -45.03 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.605 ' HE2' HD12 ' A' ' 67' ' ' LEU . 2.4 t80 -50.69 -37.69 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.892 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.502 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . 2.5 ttm180 -59.41 -43.39 93.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.843 ' CG2' HG21 ' A' ' 144' ' ' VAL . 62.5 mt -54.44 -43.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -47.76 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.01 -34.71 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.71 -50.71 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.774 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD21 ' CE3' ' A' ' 141' ' ' TRP . 5.4 mp -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.8 m -56.07 -34.67 66.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.37 -32.46 74.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -4.99 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 58.99 29.71 19.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 13.1 m-85 59.61 58.75 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 47.4 t -64.54 -70.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.52 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -30.43 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.103 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.52 69.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.953 0.406 . . . . 0.0 110.711 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.441 ' CE3' HD21 ' A' ' 131' ' ' LEU . 12.2 m95 -73.49 -34.09 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.614 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.57 -50.38 73.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 147' ' ' GLU . 2.0 m -59.4 -43.46 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.238 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.843 HG21 ' CG2' ' A' ' 127' ' ' ILE . 7.1 p -74.36 -48.03 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.587 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.6 OUTLIER -64.43 -40.13 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 0.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . . . -70.47 -29.29 65.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.734 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 3.3 mm-40 -66.37 -36.11 82.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -47.34 -29.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 6.8 ptm -57.17 -35.32 69.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . 4.6 tpt180 -61.01 -49.98 75.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.05 -35.07 70.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.079 0.466 . . . . 0.0 110.104 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.07 -22.46 58.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.028 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -55.53 -32.2 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.684 0.278 . . . . 0.0 111.638 -178.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.726 ' HB2' HD21 ' A' ' 57' ' ' LEU . 94.4 p -55.26 -45.65 76.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.813 0.34 . . . . 0.0 111.153 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 11' ' ' ASN . 32.0 pt -99.27 28.2 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.31 -46.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 159' ' ' GLN . 4.0 pp -58.93 -35.68 73.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.426 ' N ' HD12 ' A' ' 158' ' ' LEU . 3.8 pt20 -60.62 -36.2 78.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' ' 9' ' ' LEU . 4.4 tttt -57.83 -23.68 53.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 62.7 144.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.06 179.6 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -141.31 -173.11 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.5 t -102.31 2.04 36.41 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.705 0.764 . . . . 0.0 111.273 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 165' ' ' LYS . 0.1 OUTLIER 53.88 46.93 24.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.989 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.778 0.323 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.94 141.77 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.74 89.45 3.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 142.65 51.16 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.166 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' THR . 39.6 mt-30 -152.98 -49.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -172.54 -67.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 93.31 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 31.26 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.62 -45.62 9.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.49 115.17 4.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -83.33 171.01 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.989 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -137.34 -45.83 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -62.04 120.02 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.966 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.717 ' HB2' ' CD ' ' A' ' 88' ' ' GLU . . . 78.88 -3.89 2.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.952 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -73.47 -32.2 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 110.578 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.0 mp -81.11 -34.86 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.632 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HG ' HD11 ' A' ' 81' ' ' LEU . 1.5 tp -57.8 -45.76 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.4 mm? -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -56.41 -30.59 62.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.27 -11.94 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.417 ' HE1' ' HB2' ' A' ' 146' ' ' ALA . 1.9 ppp? -91.76 28.49 1.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -13.37 16.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.574 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -10.54 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 tt -97.59 167.11 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.684 0.278 . . . . 0.0 110.832 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -104.99 124.83 35.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.68 -16.57 49.33 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.436 2.091 . . . . 0.0 112.23 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -76.43 -10.36 59.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.361 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -68.61 -18.08 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.299 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 141.78 29.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.33 -76.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.106 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -25.05 58.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -97.12 27.94 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -102.78 91.79 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.807 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 2.0 m-70 -132.27 -175.16 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' CE1' ' A' ' 123' ' ' TYR . 6.7 p-10 -121.49 91.2 3.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -109.53 -0.7 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 127' ' ' ILE . 3.1 tp10 -77.78 -67.69 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.969 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.86 121.12 44.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.822 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.569 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 11.5 Cg_exo -70.4 102.18 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 120.395 0.73 . . . . 0.0 110.42 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.636 ' OE1' HD21 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.41 -23.7 67.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.36 -41.16 68.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.945 0.403 . . . . 0.0 110.377 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 3.1 mm-40 -86.15 -21.5 27.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.813 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.833 ' HB3' HD23 ' A' ' 154' ' ' LEU . 43.0 m-85 -86.19 -25.43 25.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.787 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -58.67 160.13 5.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.88 0.372 . . . . 0.0 111.25 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD21 ' A' ' 158' ' ' LEU . 4.3 p-10 -82.04 2.89 28.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.605 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.94 -23.72 47.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.348 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -179.4 65.06 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -156.86 144.52 19.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.292 -177.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.82 -173.62 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.027 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -52.61 64.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.69 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.818 ' HA ' HG21 ' A' ' 106' ' ' VAL . 4.7 mm-40 -57.78 -40.89 80.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.233 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 57' ' ' LEU . . . -56.5 -38.84 72.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.746 HG21 ' CB ' ' A' ' 99' ' ' CYS . 39.3 mm -56.0 -36.9 46.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 p -68.36 -54.43 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 17.4 t -69.44 -46.15 76.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.63 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 155' ' ' SER . 0.2 OUTLIER -52.01 -44.5 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.316 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -55.07 -49.45 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' HD13 ' A' ' 117' ' ' ILE . 34.9 mm-40 -68.12 -39.49 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.3 tpt -57.36 -48.71 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG23 HD22 ' A' ' 89' ' ' LEU . 33.5 mm -71.56 -44.41 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -57.51 -36.57 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' CD1' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -69.7 -44.91 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -59.84 -32.68 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 89' ' ' LEU . 49.2 t80 -61.66 -53.93 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.04 -29.37 70.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.207 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.41 -58.6 7.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.309 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD2' HD21 ' A' ' 82' ' ' LEU . 84.0 m-85 -78.0 -36.73 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 111.229 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.4 t -63.66 -10.72 20.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.723 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -72.85 0.41 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 171.41 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.471 ' HG ' ' HZ2' ' A' ' 141' ' ' TRP . 20.3 m -69.39 -23.65 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -57.67 -40.78 80.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.49 -7.39 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 77' ' ' LEU . . . -77.26 -34.76 55.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 HD12 ' A' ' 81' ' ' LEU . 10.6 mp -118.62 146.03 44.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -51.2 149.72 3.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.791 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.7 -38.93 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.108 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -63.54 -50.69 68.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.705 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.28 -38.04 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.743 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.04 -40.28 82.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.752 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.79 -36.55 84.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.679 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 87' ' ' ILE . 2.3 mt-10 -70.14 -29.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.1 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 89' ' ' LEU . 1.4 t80 -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.685 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.25 -51.27 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.013 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 84' ' ' GLU . 6.0 mt -63.35 -35.71 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.317 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.717 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 1.3 tm-20 -60.16 -50.84 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 61' ' ' ILE . 43.2 mt -66.79 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.14 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.12 -53.03 62.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.59 -38.06 83.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.489 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -71.61 -37.34 70.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -46.94 86.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.029 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.46 -29.52 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 96' ' ' LEU . 14.4 t70 -62.86 -51.24 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 54' ' ' ILE . 2.9 mm? -76.25 -36.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.38 -35.55 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -62.78 -27.76 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.276 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.746 ' CB ' HG21 ' A' ' 54' ' ' ILE . 1.5 m -85.91 -29.02 23.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.99 HG13 HG21 ' A' ' 107' ' ' ILE . 38.3 t -58.15 -51.28 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 2.0 tpt -75.71 -17.88 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.36 -22.37 42.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 65.71 46.08 2.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.569 ' CG1' HD12 ' A' ' 107' ' ' ILE . 3.8 p -64.73 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.31 -52.12 0.84 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 52' ' ' GLN . 11.1 p -59.49 -23.4 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.99 HG21 HG13 ' A' ' 100' ' ' VAL . 2.1 mp -105.38 48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -136.15 -45.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -68.81 119.71 71.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -59.2 -45.43 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.341 2.027 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.26 -33.04 71.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.1 mtp -71.62 -21.87 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.494 ' OH ' HG23 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -69.9 -47.68 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.046 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -52.85 -52.24 58.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.986 -179.345 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.22 -42.19 90.41 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 p -76.66 -50.25 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.828 0.346 . . . . 0.0 111.856 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.504 HD13 ' HG3' ' A' ' 59' ' ' GLU . 1.1 mm -67.66 -49.29 71.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.977 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.804 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.4 tt -61.83 -33.39 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.539 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.2 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.247 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.76 -46.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.304 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -58.35 -45.71 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.343 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 118' ' ' LEU . 1.6 tmtt? -59.61 -44.77 93.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.143 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.442 ' HB2' ' HG3' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -69.09 -47.23 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 63' ' ' GLN . 2.0 m-85 -57.83 -30.2 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.76 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -65.55 -34.01 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.729 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -38.85 92.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 37' ' ' GLU . 46.4 mt -60.31 -41.09 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -47.88 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.4 tp -68.67 -34.69 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.37 -55.24 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 136' ' ' TYR . 7.1 mp -62.35 -38.42 89.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -57.11 -32.91 66.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.368 . . . . 0.0 110.613 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -65.91 -36.54 83.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.624 ' HD2' ' HB2' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -95.27 -0.91 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.158 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 28.17 16.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 131' ' ' LEU . 27.7 m-85 54.62 67.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.3 t -78.3 -78.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 p -174.82 -41.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.231 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.75 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.033 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 134' ' ' LYS . . . -53.88 -27.92 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.854 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.471 ' HZ2' ' HG ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -69.4 -33.93 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.12 -50.35 70.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 33' ' ' ARG . 3.2 m -56.79 -41.51 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.711 0.291 . . . . 0.0 111.444 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 127' ' ' ILE . 35.1 m -74.13 -36.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' A' ' 77' ' ' LEU . 7.7 mmm180 -73.87 -39.99 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.748 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' A' ' 21' ' ' MET . . . -56.76 -30.22 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.196 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 1.4 tp10 -69.42 -40.48 77.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 145' ' ' ARG . 48.4 mt -53.67 -30.91 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 9.6 tpt -56.66 -47.92 78.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.712 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -70.16 -39.36 75.38 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.922 -179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -57.88 -35.0 70.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.656 0.265 . . . . 0.0 110.958 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.455 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 3.5 m-85 -73.02 -30.4 63.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 156' ' ' ILE . 47.1 t -105.02 -5.15 21.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.969 HD22 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -71.9 -51.74 20.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.04 0.448 . . . . 0.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.837 ' HB2' HD21 ' A' ' 57' ' ' LEU . 85.2 p -59.52 -41.69 90.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 153' ' ' SER . 7.5 tt -87.15 51.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 179.76 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.322 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 158' ' ' LEU . 1.6 tm? -62.2 -44.46 96.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.045 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -48.6 -36.78 16.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.275 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.29 -30.18 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 162' ' ' LEU . 15.6 ttt-85 58.34 36.94 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 162' ' ' LEU . 3.6 pp 42.76 -167.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.511 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.424 ' N ' HD12 ' A' ' 162' ' ' LEU . 6.9 mtmt -91.19 119.58 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.6 t -123.41 5.05 9.05 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 111.538 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.96 45.69 25.91 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.96 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.943 179.967 . . . . . . . . 0 0 . 1 stop_ save_